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Blank Page JOURNAL ARTICLE published 1 May 1991 in Journal of Chemical Information and Modeling |
Faces of Contemporary CryoEM Information and Modeling JOURNAL ARTICLE published 26 May 2020 in Journal of Chemical Information and Modeling |
Structure-Based Kinase Profiling To Understand the Polypharmacological Behavior of Therapeutic Molecules JOURNAL ARTICLE published 22 January 2018 in Journal of Chemical Information and Modeling Research funded by Council of Scientific and Industrial Research (ESC 0103) | Department of Biotechnology , Ministry of Science and Technology (GAP 346) | Department of Science and Technology, Ministry of Science and Technology (GAP 336,GAP 339) |
Issue Publication Information JOURNAL ARTICLE published 25 June 2018 in Journal of Chemical Information and Modeling |
Correction to “Structural Effects of pH and Deacylation on Surfactant Protein C in an Organic Solvent Mixture: A Constant-pH MD Study” JOURNAL ARTICLE published 26 January 2015 in Journal of Chemical Information and Modeling |
Issue Publication Information JOURNAL ARTICLE published 26 September 2016 in Journal of Chemical Information and Modeling |
Lessons Learned over Four Benchmark Exercises from the Community Structure–Activity Resource JOURNAL ARTICLE published 27 June 2016 in Journal of Chemical Information and Modeling Research funded by National Institute of General Medical Sciences (U01 GM086873) |
Locating Large, Flexible Ligands on Proteins JOURNAL ARTICLE published 26 February 2018 in Journal of Chemical Information and Modeling Research funded by Deutsche Forschungsgemeinschaft (CRC 1093) |
Scoring of Side-Chain Packings: An Analysis of Weight Factors and Molecular Dynamics Structures JOURNAL ARTICLE published 26 February 2018 in Journal of Chemical Information and Modeling Research funded by Consejo Nacional de Ciencia y Tecnolog?a (219) |
Issue Editorial Masthead JOURNAL ARTICLE published 28 March 2016 in Journal of Chemical Information and Modeling |
Issue Publication Information JOURNAL ARTICLE published 22 October 2018 in Journal of Chemical Information and Modeling |
QM/MM Simulations of Amyloid-β 42 Degradation by IDE in the Presence and Absence of ATP JOURNAL ARTICLE published 26 January 2015 in Journal of Chemical Information and Modeling Research funded by Fundação de Amparo à Ciência e Tecnologia do Estado de Pernambuco (APQ-14731.06/10) |
Conformational Free Energy Modeling of Druglike Molecules by Metadynamics in the WHIM Space JOURNAL ARTICLE published 26 March 2012 in Journal of Chemical Information and Modeling |
Toward the Identification of a Reliable 3D QSAR Pharmacophore Model for the CCK2 Receptor Antagonism JOURNAL ARTICLE published 25 May 2012 in Journal of Chemical Information and Modeling |
Improved Machine Learning Models for Predicting Selective Compounds JOURNAL ARTICLE published 25 May 2012 in Journal of Chemical Information and Modeling |
Computational Screening and Selection of Cyclic Peptide Hairpin Mimetics by Molecular Simulation and Kinetic Network Models JOURNAL ARTICLE published 27 May 2014 in Journal of Chemical Information and Modeling Research funded by National Science Foundation (CNS-09-58854) |
Design of a Three-Dimensional Multitarget Activity Landscape JOURNAL ARTICLE published 26 November 2012 in Journal of Chemical Information and Modeling |
Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression Modeling JOURNAL ARTICLE published 25 March 2019 in Journal of Chemical Information and Modeling |
All in One: Cavity Detection, Druggability Estimate, Cavity-Based Pharmacophore Perception, and Virtual Screening JOURNAL ARTICLE published 28 January 2019 in Journal of Chemical Information and Modeling |
SSIPTools: Software and Methodology for Surface Site Interaction Point (SSIP) Approach and Applications JOURNAL ARTICLE published 22 November 2021 in Journal of Chemical Information and Modeling Research funded by Engineering and Physical Sciences Research Council (EP/K025627/2,EP/M506485/1) |