Subjects -> CHEMISTRY (Total: 928 journals)
    - ANALYTICAL CHEMISTRY (59 journals)
    - CHEMISTRY (661 journals)
    - CRYSTALLOGRAPHY (23 journals)
    - ELECTROCHEMISTRY (28 journals)
    - INORGANIC CHEMISTRY (45 journals)
    - ORGANIC CHEMISTRY (47 journals)
    - PHYSICAL CHEMISTRY (65 journals)

CHEMISTRY (661 journals)            First | 1 2 3 4 | Last

Showing 201 - 400 of 735 Journals sorted alphabetically
Computational and Theoretical Chemistry     Hybrid Journal   (Followers: 11)
Computational Biology and Chemistry     Hybrid Journal   (Followers: 13)
Computational Chemistry     Open Access   (Followers: 3)
Computers & Chemical Engineering     Hybrid Journal   (Followers: 12)
Coordination Chemistry Reviews     Full-text available via subscription   (Followers: 6)
Corrosion Communications     Open Access  
Critical Reviews in Biochemistry and Molecular Biology     Hybrid Journal   (Followers: 17)
Croatica Chemica Acta     Open Access  
CrystEngComm     Hybrid Journal   (Followers: 10)
Current Catalysis     Hybrid Journal   (Followers: 2)
Current Opinion in Colloid & Interface Science     Hybrid Journal   (Followers: 8)
Current Opinion in Green and Sustainable Chemistry     Hybrid Journal  
Current Opinion in Molecular Therapeutics     Full-text available via subscription   (Followers: 8)
Current Protocols in Nucleic Acid Chemistry     Hybrid Journal  
Current Protocols in Protein Science     Hybrid Journal   (Followers: 1)
Current Research in Chemical Biology     Open Access  
Current Research in Chemistry     Open Access   (Followers: 7)
Current Research in Green and Sustainable Chemistry     Open Access  
Current Science     Open Access   (Followers: 115)
Current Topics in Medicinal Chemistry     Hybrid Journal   (Followers: 7)
Dalton Transactions     Hybrid Journal   (Followers: 23)
Detection     Open Access   (Followers: 3)
Diamond and Related Materials     Hybrid Journal   (Followers: 10)
Doklady Chemistry     Hybrid Journal  
Drying Technology: An International Journal     Hybrid Journal   (Followers: 4)
Ecological Chemistry and Engineering S     Open Access   (Followers: 2)
Educação Química en Punto de Vista     Open Access  
Educación Química     Open Access   (Followers: 1)
Education for Chemical Engineers     Hybrid Journal   (Followers: 5)
EDUSAINS     Open Access  
EJNMMI Radiopharmacy and Chemistry     Open Access  
Elements     Full-text available via subscription   (Followers: 3)
Energetic Materials Frontiers     Open Access  
EnergyChem     Hybrid Journal   (Followers: 1)
Environmental Chemistry     Hybrid Journal   (Followers: 9)
Environmental Chemistry and Ecotoxicology     Open Access  
Environmental Chemistry Letters     Hybrid Journal   (Followers: 4)
Environmental Science & Technology Letters     Hybrid Journal   (Followers: 7)
Environmental Science : Nano     Hybrid Journal   (Followers: 2)
Environmental Toxicology & Chemistry     Hybrid Journal   (Followers: 22)
Enzyme Research     Open Access   (Followers: 4)
Eurasian Chemico-Technological Journal     Open Access  
European Journal of Chemistry     Open Access   (Followers: 25)
European Journal of Histochemistry     Open Access   (Followers: 4)
European Journal of Medicinal Chemistry     Hybrid Journal   (Followers: 21)
European Journal of Medicinal Chemistry Reports     Open Access  
European Online Journal of Natural and Social Sciences     Open Access   (Followers: 4)
Faraday Discussions     Hybrid Journal   (Followers: 3)
Fine Chemical Technologies / Тонкие химические технологии     Open Access  
FirePhysChem     Open Access  
Fitoterapia     Hybrid Journal   (Followers: 4)
FlatChem : Chemistry of Flat Materials     Hybrid Journal  
Fluid Phase Equilibria     Hybrid Journal   (Followers: 4)
Folia Histochemica et Cytobiologica     Open Access  
Folia Microbiologica     Hybrid Journal   (Followers: 2)
Food Chemistry : Molecular Sciences     Open Access   (Followers: 1)
Food Digestion     Hybrid Journal   (Followers: 5)
Food Security     Open Access   (Followers: 11)
Food Structure     Hybrid Journal   (Followers: 3)
Forensic Chemistry     Hybrid Journal   (Followers: 9)
Foundations of Chemistry     Hybrid Journal   (Followers: 4)
Frontiers in Chemistry     Open Access   (Followers: 4)
Frontiers in Soil Science     Open Access  
Frontiers of Chemical Science and Engineering     Hybrid Journal   (Followers: 5)
Fullerenes, Nanotubes and Carbon Nanostructures     Hybrid Journal   (Followers: 9)
Future Medicinal Chemistry     Full-text available via subscription   (Followers: 5)
Gases     Open Access   (Followers: 1)
Gels     Open Access  
Geochemical Transactions     Open Access   (Followers: 2)
Geofluids     Open Access   (Followers: 5)
Giant     Open Access  
Graphene     Open Access   (Followers: 7)
Graphene     Full-text available via subscription   (Followers: 3)
Graphene Technology     Hybrid Journal  
Green Analytical Chemistry     Open Access   (Followers: 2)
Green and Sustainable Chemistry     Open Access   (Followers: 4)
Green Chemistry Letters and Reviews     Open Access   (Followers: 6)
Green Synthesis and Catalysis     Open Access  
GSTF Journal of Chemical Sciences (JChem)     Open Access  
Helvetica Chimica Acta     Hybrid Journal   (Followers: 32)
Heritage Science     Open Access   (Followers: 5)
Heteroatom Chemistry     Open Access   (Followers: 3)
High Energy Chemistry     Hybrid Journal  
Indian Chemical Engineer     Hybrid Journal   (Followers: 4)
Indian Journal of Chemical Technology (IJCT)     Open Access   (Followers: 9)
Indian Journal of Chemistry - Section B (IJC-B)     Open Access   (Followers: 12)
Indian Journal of Natural Products and Resources (IJNPR)     Open Access   (Followers: 1)
Indonesian Journal of Chemical Science     Open Access  
Indonesian Journal of Chemistry     Open Access   (Followers: 1)
Indonesian Journal of Pure and Applied Chemistry     Partially Free  
Industrial & Engineering Chemistry     Full-text available via subscription   (Followers: 10)
InfoMat     Open Access  
Inorganic Chemistry     Hybrid Journal   (Followers: 31)
Inorganic Chemistry Communications     Hybrid Journal   (Followers: 13)
Inorganic Materials     Hybrid Journal   (Followers: 5)
Inorganica Chimica Acta     Hybrid Journal   (Followers: 6)
Instrumentation Science & Technology     Hybrid Journal   (Followers: 7)
International Archives of Science and Technology     Open Access  
International Journal for Ion Mobility Spectrometry     Hybrid Journal   (Followers: 1)
International Journal of Adhesion and Adhesives     Hybrid Journal   (Followers: 17)
International Journal of Advanced Chemistry     Open Access   (Followers: 1)
International Journal of Agrochemistry     Full-text available via subscription  
International Journal of Analytical Mass Spectrometry and Chromatography     Open Access   (Followers: 8)
International Journal of Biological and Chemical Sciences     Open Access   (Followers: 4)
International Journal of Biological Chemistry     Open Access   (Followers: 2)
International Journal of Biological, Physical and Chemical Studies     Open Access  
International Journal of Chemical Kinetics     Hybrid Journal   (Followers: 7)
International Journal of Chemical Technology     Open Access   (Followers: 7)
International Journal of Chemistry     Open Access   (Followers: 10)
International Journal of Chemistry and Technology     Open Access   (Followers: 1)
International Journal of Chemoinformatics and Chemical Engineering     Full-text available via subscription   (Followers: 2)
International Journal of Corrosion     Open Access   (Followers: 10)
International Journal of Energetic Materials     Full-text available via subscription  
International Journal of Environmental Chemistry     Full-text available via subscription  
International Journal of Materials and Chemistry     Open Access   (Followers: 7)
International Journal of Medicinal Chemistry     Open Access   (Followers: 4)
International Journal of Minerals, Metallurgy, and Materials     Hybrid Journal   (Followers: 8)
International Journal of Molecular Sciences     Open Access   (Followers: 2)
International Journal of Nano Dimension     Open Access   (Followers: 2)
International Journal of Photoenergy     Open Access   (Followers: 3)
International Journal of Spray and Combustion Dynamics     Full-text available via subscription   (Followers: 15)
International Journal of Thermodynamics and Chemical Kinetics     Full-text available via subscription   (Followers: 2)
International Journal of Tryptophan Research     Open Access  
International Letters of Chemistry, Physics and Astronomy     Open Access   (Followers: 8)
International Research Journal of Pure and Applied Chemistry     Open Access  
Iranian Journal of Chemistry and Chemical Engineering (IJCCE)     Open Access   (Followers: 1)
Iranian Polymer Journal     Hybrid Journal   (Followers: 3)
Iraqi Journal of Pharmacy     Open Access  
Israel Journal of Chemistry     Full-text available via subscription   (Followers: 4)
IUCrData     Open Access   (Followers: 1)
JACS Au     Open Access  
JBIC Journal of Biological Inorganic Chemistry     Hybrid Journal   (Followers: 2)
JCIS Open     Open Access   (Followers: 1)
JOT Journal für Oberflächentechnik     Hybrid Journal   (Followers: 1)
JOT-International Surface Technology     Hybrid Journal   (Followers: 1)
Journal of Adhesion     Hybrid Journal   (Followers: 7)
Journal of Adhesion Science and Technology     Hybrid Journal   (Followers: 10)
Journal of Advances in Chemistry     Open Access   (Followers: 4)
Journal of Agricultural and Food Chemistry     Hybrid Journal   (Followers: 9)
Journal of Agricultural Chemistry and Environment     Open Access   (Followers: 3)
Journal of Al-Qadisiyah for Pure Science     Open Access  
Journal of Amino Acids     Open Access   (Followers: 1)
Journal of Analytical Methods in Chemistry     Open Access   (Followers: 1)
Journal of Analytical Sciences, Methods and Instrumentation     Open Access   (Followers: 4)
Journal of AOAC International     Hybrid Journal   (Followers: 4)
Journal of Applied Chemistry     Open Access   (Followers: 6)
Journal of Applied Solution Chemistry and Modeling     Hybrid Journal   (Followers: 1)
Journal of Applied Spectroscopy     Hybrid Journal   (Followers: 9)
Journal of Biomaterials and Nanobiotechnology     Open Access   (Followers: 6)
Journal of Boron     Open Access  
Journal of Carbohydrate Chemistry     Hybrid Journal   (Followers: 4)
Journal of Catalysis     Hybrid Journal   (Followers: 11)
Journal of Catalyst & Catalysis     Full-text available via subscription   (Followers: 2)
Journal of Chemical & Engineering Data     Hybrid Journal   (Followers: 10)
Journal of Chemical Education     Hybrid Journal   (Followers: 20)
Journal of Chemical Information and Modeling     Hybrid Journal   (Followers: 18)
Journal of Chemical Research     Open Access   (Followers: 6)
Journal of Chemical Reviews     Open Access  
Journal of Chemical Sciences     Partially Free   (Followers: 22)
Journal of Chemical Theory and Computation     Hybrid Journal   (Followers: 21)
Journal of Chemical Thermodynamics     Hybrid Journal   (Followers: 7)
Journal of Cheminformatics     Open Access   (Followers: 7)
Journal of Chemistry     Open Access   (Followers: 6)
Journal of Chemistry, Environmental Sciences and its Applications     Open Access   (Followers: 2)
Journal of Chemometrics     Hybrid Journal   (Followers: 9)
Journal of Chromatography A     Hybrid Journal   (Followers: 63)
Journal of Chromatography Open     Open Access   (Followers: 1)
Journal of Coating Science and Technology     Hybrid Journal  
Journal of Colloid and Interface Science     Hybrid Journal   (Followers: 17)
Journal of Computational Chemistry     Hybrid Journal   (Followers: 21)
Journal of Coordination Chemistry     Hybrid Journal   (Followers: 5)
Journal of Dispersion Science and Technology     Hybrid Journal  
Journal of Education and Science     Open Access   (Followers: 2)
Journal of Encapsulation and Adsorption Sciences     Open Access   (Followers: 1)
Journal of Energy Chemistry     Full-text available via subscription   (Followers: 3)
Journal of Flow Chemistry     Full-text available via subscription   (Followers: 2)
Journal of Fluorescence     Hybrid Journal   (Followers: 3)
Journal of Fluorine Chemistry     Hybrid Journal   (Followers: 7)
Journal of Fuel Chemistry and Technology     Full-text available via subscription   (Followers: 1)
Journal of Great Lakes Research     Hybrid Journal   (Followers: 5)
Journal of Heterocyclic Chemistry     Hybrid Journal   (Followers: 10)
Journal of Immunoassay and Immunochemistry     Hybrid Journal   (Followers: 9)
Journal of Inclusion Phenomena and Macrocyclic Chemistry     Hybrid Journal   (Followers: 1)
Journal of Inorganic Biochemistry     Hybrid Journal   (Followers: 4)
Journal of Ionic Liquids     Open Access  
Journal of Labelled Compounds and Radiopharmaceuticals     Hybrid Journal   (Followers: 4)
Journal of Macromolecular Science, Part A: Pure and Applied Chemistry     Hybrid Journal   (Followers: 1)
Journal of Mass Spectrometry     Hybrid Journal   (Followers: 41)
Journal of Materials Chemistry A : Materials for Energy and Sustainability     Hybrid Journal   (Followers: 40)
Journal of Materials Chemistry B : Materials for Biology and Medicine     Hybrid Journal   (Followers: 11)
Journal of Materials Chemistry C : Materials for Optical, Magnetic and Electronic Devices     Hybrid Journal   (Followers: 17)
Journal of Materials Physics and Chemistry     Open Access   (Followers: 7)
Journal of Materials Research     Full-text available via subscription   (Followers: 13)
Journal of Materials Science and Chemical Engineering     Open Access   (Followers: 1)
Journal of Mathematical Chemistry     Hybrid Journal   (Followers: 5)
Journal of Medicinal Chemistry     Hybrid Journal   (Followers: 134)
Journal of Membrane Science     Hybrid Journal   (Followers: 22)
Journal of Metastable and Nanocrystalline Materials     Full-text available via subscription   (Followers: 1)
Journal of Modern Chemistry & Chemical Technology     Open Access   (Followers: 2)
Journal of Molecular Graphics and Modelling     Hybrid Journal   (Followers: 1)

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Similar Journals
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Journal of Molecular Graphics and Modelling
Journal Prestige (SJR): 0.51
Citation Impact (citeScore): 2
Number of Followers: 1  
 
  Hybrid Journal Hybrid journal (It can contain Open Access articles)
ISSN (Print) 1093-3263 - ISSN (Online) 1873-4243
Published by Elsevier Homepage  [2906 journals]
  • Enhancing the performance of BN nanosheets as promising anode material for
           Li-ion batteries with carbon-doping

    • Free pre-print version: Loading...

      Abstract: Publication date: Available online 12 May 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Neha Tyagi, Neeraj K. Jaiswal
       
  • Metals doped carbon nanotubes and carbon nanocages (Co2-CNT(8, 0) and
           Sc2-C78) as catalysts of ORR in fuel cells

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      Abstract: Publication date: Available online 9 May 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Zhongyang Liu, Cunhong Li, Razieh Razavi
       
  • Constructing conformational library for amyloid-β 42 dimers as the
           smallest toxic oligomers using two CHARMM force fields

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      Abstract: Publication date: Available online 6 May 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Maryam Haji Dehabadi, Rohoullah Firouzi
       
  • Efficient separation of He/CH4 mixture by functionalized graphenylene
           membranes: A theoretical study

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      Abstract: Publication date: Available online 6 May 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Siamak Pakdel, Hamid Erfan-Niya, Jafar Azamat
       
  • Revisiting the birth of NaCl crystals using molecular dynamics simulation

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      Abstract: Publication date: Available online 6 May 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): C.R. Soares, Y.M.H. Gonçalves, B.A.C. Horta, A.G. Barreto, F.W. Tavares
       
  • Identifying highly effective coumarin-based novel cholinesterase
           inhibitors by in silico and in vitro studies

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      Abstract: Publication date: Available online 4 May 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Ferah Comert Onder, Kader Sahin, Murat Senturk, Serdar Durdagi, Mehmet Ay
       
  • Molecular insights into the heterogeneous crystal growth of
           tetrahydrofuran hydrate: Kinetic and interfacial properties

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      Abstract: Publication date: Available online 3 May 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Farzane Ebrahimian, Kiana Peyvandi, Farshad Varaminian
       
  • Symmetric vs. asymmetric: Which one is the better molecular configuration
           for achieving robust NLO response'

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      Abstract: Publication date: Available online 2 May 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Shabbir Muhammad
       
  • CNT biodevices for early liver cancer diagnosis based on biomarkers
           detection- a promising platform

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      Abstract: Publication date: Available online 30 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Aref Aasi, Erfan Aasi, Sadegh Mehdi Aghaei, Balaji Panchapakesan
       
  • Remarkable non-linear optical properties of gold cluster doped graphyne
           (GY): A DFT study

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      Abstract: Publication date: Available online 28 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Alvina Rasool, Saba Zahid, Nada Alfryyan, Ali Raza Ayub, Khurshid Ayub, Mohammed Salim Akhter, Javed Iqbal, M.S. Al-Buriahi, El Sayed Yousef
       
  • Investigation of the structural and dynamical properties of human
           uncoupling protein 2 through molecular dynamics simulations

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      Abstract: Publication date: Available online 28 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Zobia Naz, Syed Tarique Moin
       
  • Virtual and biochemical screening to identify the inhibitors of binding
           between SARS-CoV-2 spike protein and human angiotensin-converting enzyme 2
           

    • Free pre-print version: Loading...

      Abstract: Publication date: Available online 27 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Chanyoub Park, Changsun Eun
       
  • A mutation increases the specificity to plant compounds in an insect
           chemosensory protein

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      Abstract: Publication date: Available online 26 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Angélica González-González, Osvaldo Yañez, Gabriel I. Ballesteros, Rubén Palma-Millanao, Christian C. Figueroa, Hermann M. Niemeyer, Claudio C. Ramírez
       
  • How Eppstein-Barr virus envelope glycoprotein gp350 tricks the CR2' A
           molecular dynamics study

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      Abstract: Publication date: Available online 26 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Elif Naz Bingöl, Ilgaz Taştekil, Cansu Yay, Nursena Keskin, Pemra Ozbek
       
  • Inhibitory mechanism of Ambroxol and Bromhexine Hydrochlorides as potent
           blockers of molecular interaction between SARS-CoV-2 spike protein and
           human angiotensin-converting Enzyme-2

    • Free pre-print version: Loading...

      Abstract: Publication date: Available online 21 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Idowu A. Kehinde, Anu Egbejimi, Manvir Kaur, Collins Onyenaka, Tolulope Adebusuyi, Omonike A. Olaleye
       
  • Water molecule-mediated selective inhibition of bacterial zinc
           metalloproteinases by non-hydroxamate compounds: Ab initio molecular
           simulations

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      Abstract: Publication date: July 2022Source: Journal of Molecular Graphics and Modelling, Volume 114Author(s): Ryosuke Saito, Kyohei Imai, Daichi Takimoto, Takuya Ezawa, Satoshi Sugiyama, Midori Takimoto-Kamimura, Noriyuki Kurita
       
  • Random walks in a free energy landscape combining augmented molecular
           dynamics simulations with a dynamic graph neural network model

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      Abstract: Publication date: Available online 19 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Hiqmet Kamberaj
       
  • The SARS-CoV-2 helicase as a target for antiviral therapy: Identification
           of potential small molecule inhibitors by in silico modelling

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      Abstract: Publication date: Available online 18 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Eleni Pitsillou, Julia Liang, Andrew Hung, Tom C. Karagiannis
       
  • Refined models of coordination between Al3+/Mg2+ and enzyme in molecular
           dynamics simulation in terms of ABEEM polarizable force field

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      Abstract: Publication date: Available online 18 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Li-Nan Lu, Cui Liu, Zhong-Zhi Yang, Dong-Xia Zhao
       
  • Combined in silico approach and whole genome sequencing: Acinetobacter
           baumannii ST218 isolate harboring ADC-73 β-lactamase which has a similar
           C-loop with ADC-56 and ADC-68 β-lactamase

    • Free pre-print version: Loading...

      Abstract: Publication date: Available online 17 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Melike Gülbüz, Ayşegül Saral Sariyer
       
  • Theoretical investigation on the mechanism and kinetics of the
           OH•‒initiated atmospheric degradation of p-chloroaniline via
           OH•‒addition and hydrogen abstraction pathways

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      Abstract: Publication date: Available online 14 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Maryam Rashidiani, Ehsan Zahedi, Karim Zare, Ahmad Seif
       
  • Molecular insights into the differential dynamics of SARS-CoV-2 variants
           of concern

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      Abstract: Publication date: Available online 14 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Nabanita Mandal, Aditya K. Padhi, Soumya Lipsa Rath
       
  • Influence of zwitterionic structure design on mixed matrix membrane
           stability, hydrophilicity, and fouling resistance: A computational study

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      Abstract: Publication date: Available online 14 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Vu Tan Bui, Amira Abdelrasoul, Dena W. McMartin
       
  • Silicon-doped boron nitride graphyne-like sheet for catalytic
           N2O reduction: A DFT study

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      Abstract: Publication date: July 2022Source: Journal of Molecular Graphics and Modelling, Volume 114Author(s): Adnan Ali Khan, Mehdi D. Esrafili, Faisal Ali, Rashid Ahmad, Iftikhar Ahmad
       
  • Design, preparation and adsorption performances of norfloxacin molecularly
           imprinted polymers

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      Abstract: Publication date: Available online 14 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Dadong Liang, Xiaoshuang Wang, Jin Liu, Junbo Liu, Shanshan Tang, Bao Xu, Ruifa Jin
       
  • Identification of phytocompounds as newer antiviral drugs against COVID-19
           through molecular docking and simulation based study

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      Abstract: Publication date: Available online 14 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Bipasa Kar, Budheswar Dehury, Mahender Kumar Singh, Sanghamitra Pati, Debdutta Bhattacharya
       
  • Exploration of the inhibitory mechanism of PC190723 on FtsZ protein by
           molecular dynamics simulation

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      Abstract: Publication date: Available online 14 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Yangchun Ma, Shenyan Zhang, Liang Zhou, Long Zhang, Panpan Zhang, Shutao Ma
       
  • Molecular modelling identification of phytocompounds from selected African
           botanicals as promising therapeutics against druggable human host cell
           targets of SARS-CoV-2

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      Abstract: Publication date: Available online 12 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Uhomoibhi John Omo-Osagie, Francis Oluwole Shode, Idowu Kehinde Ademola, Saheed Sabiu
       
  • Thermodynamics of translational and rotational dynamics of C9 hydrocarbons
           in the pores of zeolite-beta

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      Abstract: Publication date: Available online 11 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Osama H.S. Al-Bahri, Bhaskarjyoti Borah, Mohammed Elzain, Srinivasa Rao Varanasi
       
  • Molecular dynamics simulation of the adsorption properties of graphene
           oxide/graphene composite for alkali metal ions

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      Abstract: Publication date: Available online 6 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Jianping Zeng, Yan Zhang, Yuhang Chen, Zijie Han, Xinmiao Chen, Yue Peng, Long Chen, Song Chen
       
  • Effect of glycerol on free DNA: A molecular dynamics simulation study

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      Abstract: Publication date: July 2022Source: Journal of Molecular Graphics and Modelling, Volume 114Author(s): Aathithya Diaz, Hari Balaji Jothiraman, Vigneshwar Ramakrishnan
       
  • Identification of potent inhibitors against chorismate synthase of
           Toxoplasma gondii using molecular dynamics simulations

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      Abstract: Publication date: Available online 2 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Samayaditya Singh, Insaf Ahmed Qureshi
       
  • DFT investigation on the carbonate radical formation in the system
           containing carbon dioxide and hydroxyl free radical

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      Abstract: Publication date: Available online 1 April 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Xiaowei Lan, Yujie Dai, Wenjie Jing, Xuan Meng, Fufeng Liu, Sen Wang, Ao He, Nan Li
       
  • Study on the mode of action between Apis mellifera (α8)2(β1)3 nAChR and
           typical neonicotinoids versus flupyradifurone with different bee-toxic
           levels

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      Abstract: Publication date: Available online 29 March 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Jing Shuai, Xin Wang, Guanglong Li, Yijin Kong, Weihua Li, Zhong Li, Jiagao Cheng
       
  • Quinoxaline based unfused non-fullerene acceptor molecules with PTB7-Th
           donor polymer for high performance organic solar cell applications

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      Abstract: Publication date: Available online 25 March 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Malik Muhammad Asif Iqbal, Muhammad Yasir Mehboob, Muhammad Arsahd
       
  • Structural insights into the catalytic mechanism granzyme B upon substrate
           and inhibitor binding

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      Abstract: Publication date: Available online 22 March 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Neha Tripathi, Richard Danger, Mélanie Chesneau, Sophie Brouard, Adèle D. Laurent
       
  • Structure and dynamics of hydrophobic deep eutectic solvents composed from
           terpene-fatty acids investigated by molecular dynamics simulation

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      Abstract: Publication date: Available online 22 March 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Samaneh Barani Pour, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh
       
  • Electronic, magnetic, elastic, thermal and thermoelectric proprieties of
           Co2MnZ (Z=Al, Ge, Sn)

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      Abstract: Publication date: Available online 19 March 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Y. El Krimi, R. Masrour, A. Jabar
       
  • An extensive computational study to identify potential inhibitors of
           Acyl-homoserine-lactone synthase from Acinetobacter baumannii (strain AYE)
           

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      Abstract: Publication date: Available online 19 March 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Rajat Kumar Jha, Rameez Jabeer Khan, Ekampreet Singh, Ankit Kumar, Monika Jain, Jayaraman Muthukumaran, Amit Kumar Singh
       
  • On the need to introduce environmental characteristics in ab initio
           protein structure prediction using a coarse-grained UNRES force field

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      Abstract: Publication date: Available online 18 March 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Irena Roterman, Adam Sieradzan, Katarzyna Stapor, Piotr Fabian, Patryk Wesołowski, Leszek Konieczny
       
  • Online tools to easily build virtual molecular models for display in
           augmented and virtual reality on the web

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      Abstract: Publication date: Available online 17 March 2022Source: Journal of Molecular Graphics and ModellingAuthor(s): Fabio Cortés Rodríguez, Matteo Dal Peraro, Luciano A. Abriata
       
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