Publisher: ACS   (Total: 68 journals)   [Sort alphabetically]

Showing 1 - 68 of 68 Journals sorted by number of followers
Biochemistry     Hybrid Journal   (Followers: 484, SJR: 1.685, CiteScore: 3)
J. of the American Chemical Society     Hybrid Journal   (Followers: 465, SJR: 8.127, CiteScore: 14)
ACS Chemical Biology     Hybrid Journal   (Followers: 451, SJR: 2.57, CiteScore: 5)
ACS Nano     Hybrid Journal   (Followers: 448, SJR: 7.203, CiteScore: 14)
Analytical Chemistry     Hybrid Journal   (Followers: 351, SJR: 2.362, CiteScore: 6)
Environmental Science & Technology     Hybrid Journal   (Followers: 347, SJR: 2.535, CiteScore: 7)
Chemistry of Materials     Hybrid Journal   (Followers: 336, SJR: 4.675, CiteScore: 10)
Chemical Reviews     Hybrid Journal   (Followers: 265, SJR: 23.414, CiteScore: 51)
The J. of Organic Chemistry     Hybrid Journal   (Followers: 247, SJR: 1.846, CiteScore: 5)
J. of Medicinal Chemistry     Hybrid Journal   (Followers: 223, SJR: 2.567, CiteScore: 6)
Accounts of Chemical Research     Hybrid Journal   (Followers: 222, SJR: 11.139, CiteScore: 21)
Organic Letters     Hybrid Journal   (Followers: 210, SJR: 2.853, CiteScore: 6)
Nano Letters     Hybrid Journal   (Followers: 76, SJR: 7.447, CiteScore: 13)
ACS Catalysis     Hybrid Journal   (Followers: 76, SJR: 4.921, CiteScore: 11)
Langmuir     Hybrid Journal   (Followers: 66, SJR: 1.479, CiteScore: 4)
Macromolecules     Hybrid Journal   (Followers: 56, SJR: 2.419, CiteScore: 6)
J. of Physical Chemistry B     Hybrid Journal   (Followers: 51, SJR: 1.331, CiteScore: 3)
ACS Medicinal Chemistry Letters     Hybrid Journal   (Followers: 49, SJR: 1.388, CiteScore: 3)
J. of Physical Chemistry C     Hybrid Journal   (Followers: 45, SJR: 2.135, CiteScore: 5)
ACS Applied Materials & Interfaces     Hybrid Journal   (Followers: 44, SJR: 2.784, CiteScore: 8)
Organic Process Research & Development     Hybrid Journal   (Followers: 43, SJR: 1.405, CiteScore: 3)
ACS Synthetic Biology     Hybrid Journal   (Followers: 40, SJR: 2.625, CiteScore: 5)
Inorganic Chemistry     Hybrid Journal   (Followers: 39, SJR: 1.892, CiteScore: 5)
Energy & Fuels     Hybrid Journal   (Followers: 37, SJR: 1.159, CiteScore: 4)
J. of Physical Chemistry A     Hybrid Journal   (Followers: 37, SJR: 1.17, CiteScore: 3)
J. of Physical Chemistry Letters     Hybrid Journal   (Followers: 35, SJR: 4.667, CiteScore: 8)
ACS Macro Letters     Hybrid Journal   (Followers: 34, SJR: 2.486, CiteScore: 6)
Bioconjugate Chemistry     Hybrid Journal   (Followers: 28, SJR: 1.801, CiteScore: 4)
J. of Chemical Education     Hybrid Journal   (Followers: 28, SJR: 0.466, CiteScore: 2)
Biomacromolecules     Hybrid Journal   (Followers: 27, SJR: 1.95, CiteScore: 6)
Chemical Research in Toxicology     Hybrid Journal   (Followers: 25, SJR: 1.187, CiteScore: 4)
ACS Chemical Neuroscience     Hybrid Journal   (Followers: 25, SJR: 1.442, CiteScore: 4)
ACS Combinatorial Science     Hybrid Journal   (Followers: 25, SJR: 1.049, CiteScore: 3)
Chemical and Engineering News     Free   (Followers: 25, SJR: 0.145, CiteScore: 0)
Industrial & Engineering Chemistry Research     Hybrid Journal   (Followers: 24, SJR: 0.978, CiteScore: 3)
Organometallics     Hybrid Journal   (Followers: 22, SJR: 1.652, CiteScore: 4)
J. of Natural Products     Hybrid Journal   (Followers: 21, SJR: 1.368, CiteScore: 4)
Molecular Pharmaceutics     Hybrid Journal   (Followers: 20, SJR: 1.572, CiteScore: 5)
J. of Chemical Information and Modeling     Hybrid Journal   (Followers: 20, SJR: 1.349, CiteScore: 4)
Crystal Growth & Design     Hybrid Journal   (Followers: 19, SJR: 1.154, CiteScore: 4)
J. of Chemical Theory and Computation     Hybrid Journal   (Followers: 19, SJR: 2.497, CiteScore: 5)
ACS Photonics     Hybrid Journal   (Followers: 19, SJR: 3.376, CiteScore: 7)
J. of Agricultural and Food Chemistry     Hybrid Journal   (Followers: 14, SJR: 1.269, CiteScore: 4)
J. of Proteome Research     Hybrid Journal   (Followers: 14, SJR: 1.818, CiteScore: 4)
ACS Central Science     Open Access   (Followers: 14, SJR: 5.022, CiteScore: 7)
ACS Biomaterials Science and Engineering     Hybrid Journal   (Followers: 14)
ACS Applied Polymer Materials     Hybrid Journal   (Followers: 14)
Industrial & Engineering Chemistry     Full-text available via subscription   (Followers: 11)
J. of Chemical & Engineering Data     Hybrid Journal   (Followers: 11, SJR: 0.925, CiteScore: 2)
ACS ES&T Engineering     Hybrid Journal   (Followers: 9)
ACS Applied Nano Materials     Hybrid Journal   (Followers: 9)
ACS Energy Letters     Hybrid Journal   (Followers: 9)
ACS Sustainable Chemistry & Engineering     Hybrid Journal   (Followers: 9, SJR: 1.657, CiteScore: 6)
ACS Earth and Space Chemistry     Free   (Followers: 8)
Environmental Science & Technology Letters     Hybrid Journal   (Followers: 7)
ACS infectious diseases     Hybrid Journal   (Followers: 7, SJR: 1.618, CiteScore: 4)
ACS Pharmacology & Translational Science     Hybrid Journal   (Followers: 6)
Advances in Chemistry     Full-text available via subscription   (Followers: 6)
ACS ES&T Water     Hybrid Journal   (Followers: 5)
Applied Energy Materials     Hybrid Journal   (Followers: 5)
ACS Omega     Open Access   (Followers: 5)
ACS Chemical Health & Safety     Hybrid Journal   (Followers: 5, SJR: 0.207, CiteScore: 0)
ACS Sensors     Hybrid Journal   (Followers: 4)
Rubber Chemistry and Technology     Full-text available via subscription   (Followers: 3, SJR: 0.315, CiteScore: 1)
ACS Materials Letters     Open Access   (Followers: 3)
Accounts of Materials Research     Hybrid Journal  
JACS Au     Open Access  
C&EN Global Enterprise     Full-text available via subscription  
Similar Journals
Journal Cover
Journal of Chemical Information and Modeling
Journal Prestige (SJR): 1.349
Citation Impact (citeScore): 4
Number of Followers: 20  
 
  Hybrid Journal Hybrid journal (It can contain Open Access articles)
ISSN (Print) 1549-9596 - ISSN (Online) 1549-960X
Published by ACS Homepage  [68 journals]
  • [ASAP] Improving Structure-Based Virtual Screening with Ensemble Docking
           and Machine Learning

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      Authors: Joel Ricci-Lopez; Sergio A. Aguila, Michael K. Gilson, Carlos A. Brizuela
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00511
      PubDate: Fri, 15 Oct 2021 04:00:00 GMT
       
  • correlationplus&rft.title=Journal+of+Chemical+Information+and+Modeling&rft.issn=1549-9596&rft.date=2021&rft.volume=&rft.aulast=Tekpinar&rft.aufirst=Mustafa&rft.au=Mustafa+Tekpinar&rft.au=Bertrand+Neron,++Marc+Delarue">[ASAP] Extracting Dynamical Correlations and Identifying Key Residues for
           Allosteric Communication in Proteins by correlationplus

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      Authors: Mustafa Tekpinar; Bertrand Neron, Marc Delarue
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00742
      PubDate: Fri, 15 Oct 2021 04:00:00 GMT
       
  • [ASAP] Computational Prediction of ω-Transaminase Specificity by a
           Combination of Docking and Molecular Dynamics Simulations

    • Free pre-print version: Loading...

      Authors: Carlos Ramírez-Palacios; Hein J. Wijma, Sebastian Thallmair, Siewert J. Marrink, Dick B. Janssen
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00617
      PubDate: Fri, 15 Oct 2021 04:00:00 GMT
       
  • [ASAP] Identification of Novel CD39 Inhibitors Based on Virtual Screening
           and Enzymatic Assays

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      Authors: Yunshuo Zhao; Xiaotong Chen, Zhe Ding, Chuanjie He, Guanfei Gao, Sifan Lyu, Yanfeng Gao, Jiangfeng Du
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00590
      PubDate: Thu, 14 Oct 2021 04:00:00 GMT
       
  • [ASAP] Hydrolysis Mechanism of the Linkers by Matrix Metalloproteinase-9
           Using QM/MM Calculations

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      Authors: Binbin Chen; Zhengzhong Kang, En Zheng, Yingchun Liu, James W. Gauld, Qi Wang
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00825
      PubDate: Thu, 14 Oct 2021 04:00:00 GMT
       
  • [ASAP] Human Estrogen Receptor α Antagonists. Part 1: 3-D QSAR-Driven
           Rational Design of Innovative Coumarin-Related Antiestrogens as Breast
           Cancer Suppressants through Structure-Based and Ligand-Based Studies

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      Authors: Nezrina Mihović; Nevena Tomašević, Sanja Matić, Marina M. Mitrović, Danijela A. Kostić, Manuela Sabatino, Lorenzo Antonini, Rino Ragno, Milan Mladenović
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00530
      PubDate: Thu, 14 Oct 2021 04:00:00 GMT
       
  • [ASAP] Structure–Function Analysis of Resistance to Bamlanivimab by
           SARS-CoV-2 Variants Kappa, Delta, and Lambda

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      Authors: Shufeng Liu; Tien Huynh, Charles B. Stauft, Tony T. Wang, Binquan Luan
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c01058
      PubDate: Thu, 14 Oct 2021 04:00:00 GMT
       
  • [ASAP] Explainable Molecular Sets: Using Information Theory to Generate
           Meaningful Descriptions of Groups of Molecules

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      Authors: Adam C. Mater; Michelle L. Coote
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00519
      PubDate: Tue, 12 Oct 2021 04:00:00 GMT
       
  • [ASAP] Crystallography and QM/MM Simulations Identify Preferential Binding
           of Hydrolyzed Carbapenem and Penem Antibiotics to the L1
           Metallo-β-Lactamase in the Imine Form

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      Authors: Rebecca M. Twidale; Philip Hinchliffe, James Spencer, Adrian J. Mulholland
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00663
      PubDate: Tue, 12 Oct 2021 04:00:00 GMT
       
  • [ASAP] Correction to “PySHS: Python Open Source Software for Second
           Harmonic Scattering”

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      Authors: Lotfi Boudjema; Hanna Aarrass, Marwa Assaf, Marie Morille, Gaelle Martin-Gassin, Pierre-Marie Gassin
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c01182
      PubDate: Tue, 12 Oct 2021 04:00:00 GMT
       
  • [ASAP] Navigating Chemical Space by Interfacing Generative Artificial
           Intelligence and Molecular Docking

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      Authors: Ziqiao Xu; Orrette R. Wauchope, Aaron T. Frank
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00746
      PubDate: Mon, 11 Oct 2021 04:00:00 GMT
       
  • [ASAP] Non-Canonical Interaction between Calmodulin and Calcineurin
           Contributes to the Differential Regulation of Plant-Derived Calmodulins on
           Calcineurin

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      Authors: Bin Sun; Xuan Fang, Christopher N. Johnson, Garrett Hauck, Yongjun Kou, Jonathan P. Davis, Peter M. Kekenes-Huskey
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00873
      PubDate: Thu, 07 Oct 2021 04:00:00 GMT
       
  • [ASAP] 5-HT2 Receptor Subfamily and the Halogen Bond Promise

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      Authors: Angélica Fierro; Douglas J. Matthies, Bruce K. Cassels, Pablo Jaque, Gerald Zapata-Torres
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00466
      PubDate: Thu, 07 Oct 2021 04:00:00 GMT
       
  • [ASAP] RealVS: Toward Enhancing the Precision of Top Hits in Ligand-Based
           Virtual Screening of Drug Leads from Large Compound Databases

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      Authors: Yueming Yin; Haifeng Hu, Zhen Yang, Huajian Xu, Jiansheng Wu
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c01021
      PubDate: Thu, 07 Oct 2021 04:00:00 GMT
       
  • ykkC-III:+Structural+Insights+into+the+Discrimination+of+Cognate+and+Alternate+Ligands&rft.title=Journal+of+Chemical+Information+and+Modeling&rft.issn=1549-9596&rft.date=2021&rft.volume=&rft.aulast=Negi&rft.aufirst=Indu&rft.au=Indu+Negi&rft.au=Amanpreet+Singh+Mahmi,++Preethi+Seelam+Prabhakar,++Purshotam+Sharma">[ASAP] Molecular Dynamics Simulations of the Aptamer Domain of Guanidinium
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           Discrimination of Cognate and Alternate Ligands

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      Authors: Indu Negi; Amanpreet Singh Mahmi, Preethi Seelam Prabhakar, Purshotam Sharma
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c01022
      PubDate: Tue, 05 Oct 2021 04:00:00 GMT
       
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      Authors: Jovan Damjanovic; James M. Murphy, Yu-Shan Lin
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00598
      PubDate: Tue, 05 Oct 2021 04:00:00 GMT
       
  • [ASAP] Theoretical Study of a Two-Photon Fluorescent Probe Based on Nile
           Red Derivatives with Controllable Fluorescence Wavelength and Water
           Solubility

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      Authors: Xue-hui Guo; Li-bo Yu, Xue-Li Hao, Teng-fei He, Jing-Fu Guo, Xue Wei, Wei-bo Cui, Li-ying Yu, Ze-xing Qu, Ai-min Ren
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00635
      PubDate: Mon, 04 Oct 2021 04:00:00 GMT
       
  • [ASAP] Modeling Spectral Tuning in Red Fluorescent Proteins Using the
           Dipole Moment Variation upon Excitation

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      Authors: Maria G. Khrenova; Fedor D. Mulashkin, Alexander V. Nemukhin
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00981
      PubDate: Sun, 03 Oct 2021 04:00:00 GMT
       
  • [ASAP] Computer-Aided Design and Synthesis of a New Class of PEX14
           Inhibitors: Substituted 2,3,4,5-Tetrahydrobenzo[F][1,4]oxazepines as
           Potential New Trypanocidal Agents

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      Authors: Roberto Fino; Dominik Lenhart, Vishal C. Kalel, Charlotte A. Softley, Valeria Napolitano, Ryan Byrne, Wolfgang Schliebs, Maciej Dawidowski, Ralf Erdmann, Michael Sattler, Gisbert Schneider, Oliver Plettenburg, Grzegorz M. Popowicz
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00472
      PubDate: Fri, 01 Oct 2021 04:00:00 GMT
       
  • [ASAP] Making it Rain: Cloud-Based Molecular Simulations for Everyone

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      Authors: Pablo R. Arantes; Marcelo D. Polêto, Conrado Pedebos, Rodrigo Ligabue-Braun
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00998
      PubDate: Fri, 01 Oct 2021 04:00:00 GMT
       
  • [ASAP] CSDB/SNFG Structure Editor: An Online Glycan Builder with 2D and 3D
           Structure Visualization

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      Authors: Andrei Y. Bochkov; Philip V. Toukach
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00917
      PubDate: Fri, 01 Oct 2021 04:00:00 GMT
       
  • [ASAP] Modeling the Binding and Conformational Energetics of a Targeted
           Covalent Inhibitor to Bruton’s Tyrosine Kinase

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      Authors: Ernest Awoonor-Williams; Christopher N. Rowley
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00897
      PubDate: Thu, 30 Sep 2021 04:00:00 GMT
       
  • [ASAP] AlphaFold 2: Why It Works and Its Implications for Understanding
           the Relationships of Protein Sequence, Structure, and Function

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      Authors: Jeffrey Skolnick; Mu Gao, Hongyi Zhou, Suresh Singh
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c01114
      PubDate: Wed, 29 Sep 2021 04:00:00 GMT
       
  • [ASAP] EHreact: Extended Hasse Diagrams for the Extraction and Scoring of
           Enzymatic Reaction Templates

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      Authors: Esther Heid; Samuel Goldman, Karthik Sankaranarayanan, Connor W. Coley, Christoph Flamm, William H. Green
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00921
      PubDate: Wed, 29 Sep 2021 04:00:00 GMT
       
  • [ASAP] Optimizing the Cosensitization Effect of SQ02 Dye on BP-2
           Dye-Sensitized Solar Cells: A Computational Quantum Chemical Study

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      Authors: Eman Nabil; Ahmed A. Hasanein, Rua B. Alnoman, Mohamed Zakaria
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00739
      PubDate: Wed, 29 Sep 2021 04:00:00 GMT
       
  • [ASAP] Kinase Inhibitor Scaffold Hopping with Deep Learning Approaches

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      Authors: Lizhao Hu; Yuyao Yang, Shuangjia Zheng, Jun Xu, Ting Ran, Hongming Chen
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      DOI : 10.1021/acs.jcim.1c00608
      PubDate: Wed, 29 Sep 2021 04:00:00 GMT
       
  • [ASAP] Binding Mechanism of Neutralizing Nanobodies Targeting SARS-CoV-2
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      Authors: Mert Golcuk; Aysima Hacisuleyman, Burak Erman, Ahmet Yildiz, Mert Gur
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      PubDate: Tue, 28 Sep 2021 04:00:00 GMT
       
  • [ASAP] Conformational Fluctuations in GTP-Bound K-Ras: A Metadynamics
           Perspective with Harmonic Linear Discriminant Analysis

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      Authors: Xiaohui Wang
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
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      PubDate: Mon, 27 Sep 2021 04:00:00 GMT
       
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           Similarity Predictive Approach

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      Authors: Fulvio Ciriaco; Nicola Gambacorta, Domenico Alberga, Orazio Nicolotti
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00498
      PubDate: Mon, 27 Sep 2021 04:00:00 GMT
       
  • [ASAP] Kinematic Reconstruction of Cyclic Peptides and Protein Backbones
           from Partial Data

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      Authors: Mosavverul Hassan; Evangelos A. Coutsias
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00453
      PubDate: Mon, 27 Sep 2021 04:00:00 GMT
       
  • [ASAP] Electron Donor–Acceptor Properties of Different Muscarinic
           Ligands: On the Road to Control Schizophrenia

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      Authors: Guillermo Goode-Romero; Laura Dominguez, Ana Martínez
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
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      PubDate: Fri, 24 Sep 2021 04:00:00 GMT
       
  • [ASAP] Fighting Against Bacterial Lipopolysaccharide-Caused Infections
           through Molecular Dynamics Simulations: A Review

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      Authors: Cristina González-Fernández; Arantza Basauri, Marcos Fallanza, Eugenio Bringas, Chris Oostenbrink, Inmaculada Ortiz
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00613
      PubDate: Fri, 24 Sep 2021 04:00:00 GMT
       
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      Authors: Dmitry V. Zankov; Mariia Matveieva, Aleksandra V. Nikonenko, Ramil I. Nugmanov, Igor I. Baskin, Alexandre Varnek, Pavel Polishchuk, Timur I. Madzhidov
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00692
      PubDate: Thu, 23 Sep 2021 04:00:00 GMT
       
  • [ASAP] Discovery of Novel Small Molecule Inhibitors Disrupting the
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      Authors: Hengzhi Sun; Jinzheng Wang, Shengjie Liu, Xinyu Zhou, Liang Dai, Caiping Chen, Qinglong Xu, Xiaoan Wen, Keguang Cheng, Hongbin Sun, Haoliang Yuan
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00521
      PubDate: Thu, 23 Sep 2021 04:00:00 GMT
       
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           the SARS-CoV-2 Spike Protein Complexes with the ACE2 Decoys and
           Miniprotein Inhibitors: A Network-Based Approach for Mutational Profiling
           of Binding and Signaling

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      Authors: Gennady M. Verkhivker; Steve Agajanian, Deniz Yasar Oztas, Grace Gupta
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00766
      PubDate: Wed, 22 Sep 2021 04:00:00 GMT
       
  • [ASAP] Accurate Binding Configuration Prediction of a G-Protein-Coupled
           Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based
           Dynamic Docking

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      Authors: Gert-Jan Bekker; Mitsugu Araki, Kanji Oshima, Yasushi Okuno, Narutoshi Kamiya
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00712
      PubDate: Wed, 22 Sep 2021 04:00:00 GMT
       
  • [ASAP] Critical Assessment of Conformal Prediction Methods Applied in
           Binary Classification Settings

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      Authors: Damjan Krstajic
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00549
      PubDate: Wed, 22 Sep 2021 04:00:00 GMT
       
  • [ASAP] Predicting Solvent-Dependent Nucleophilicity Parameter with a
           Causal Structure Property Relationship

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      Authors: Samuel Boobier; Yufeng Liu, Krishna Sharma, David R. J. Hose, A. John Blacker, Nikil Kapur, Bao N. Nguyen
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00610
      PubDate: Wed, 22 Sep 2021 04:00:00 GMT
       
  • [ASAP] Balanced Solvent Model for Intrinsically Disordered and Ordered
           Proteins

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      Authors: Junxi Mu; Zhengsong Pan, Hai-Feng Chen
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00407
      PubDate: Tue, 21 Sep 2021 04:00:00 GMT
       
  • [ASAP] Pharmacoprint: A Combination of a Pharmacophore Fingerprint and
           Artificial Intelligence as a Tool for Computer-Aided Drug Design

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      Authors: Dawid Warszycki; Łukasz Struski, Marek Śmieja, Rafa Kafel, Rafa Kurczab
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00589
      PubDate: Tue, 21 Sep 2021 04:00:00 GMT
       
  • [ASAP] CHARMM-GUI Membrane Builder for Lipid Nanoparticles with Ionizable
           Cationic Lipids and PEGylated Lipids

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      Authors: Soohyung Park; Yeol Kyo Choi, Seonghoon Kim, Jumin Lee, Wonpil Im
      Abstract: TOC GraphicJournal of Chemical Information and Modeling
      DOI : 10.1021/acs.jcim.1c00770
      PubDate: Tue, 21 Sep 2021 04:00:00 GMT
       
  • [ASAP] Effect of Lithium Drug on Binding Affinities of Glycogen Synthase
           Kinase-3 β to Its Network Partners: A New Computational Approach

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