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Journal of Chemical Information and Modeling|August 21, 2019
In Silico Observation of the Conformational Opening of the Glutathione-Binding Site of Microsomal Prostaglandin E2 Synthase-1Shuo Zhou, Ziyuan Zhou, Kai Ding, et al.Journal of Chemical Information and Modeling|August 3, 2019
Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual ScreeningJuan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, et al.Journal of Chemical Information and Modeling|August 14, 2019
Impact of Mutations on NPAC Structural Dynamics: Mechanistic Insights from MD SimulationsMarco Montefiori, Simona Pilotto, Chiara Marabelli, et al.Journal of Chemical Information and Modeling|August 15, 2019
How to Model Inter- and Intramolecular Hydrogen Bond Strengths with Quantum ChemistryChristoph A BauerJournal of Chemical Information and Modeling|August 28, 2019
Data Mining Approach for Extraction of Useful Information About Biologically Active Compounds from PublicationsOlga A Tarasova, Nadezhda Yu Biziukova, Dmitry A Filimonov, et al.Journal of Chemical Information and Modeling|August 28, 2019
Enhanced Sampling Simulations of Ligand Unbinding Kinetics Controlled by Protein Conformational ChangesYang Zhou, Rongfeng Zou, Guanglin Kuang, et al.Journal of Chemical Information and Modeling|September 16, 2022
Parametrization of Force Field Bonded Terms under Structural InconsistencyAnastasia Croitoru, Alexey AleksandrovJournal of Chemical Information and Modeling|September 16, 2022
Auto3D: Automatic Generation of the Low-Energy 3D Structures with ANI Neural Network PotentialsZhen Liu, Tetiana Zubatiuk, Adrian Roitberg, et al.Journal of Chemical Information and Modeling|October 4, 2022
Conservation of Allosteric Ligand Binding Sites in G-Protein Coupled ReceptorsAmanda E Wakefield, Dávid Bajusz, Dima Kozakov, et al.Journal of Chemical Information and Modeling|September 28, 2022
Visualizing Generic Reaction PatternsUschi Dolfus, Hans Briem, Matthias RareyPageof 909