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Molecular Informatics|June 3, 2020
Using the Semiempirical Quantum Mechanics in Improving the Molecular Docking: A Case Study with CDK2Saleh Bagheri, Hassan Behnejad, Rohoullah Firouzi, et al.Molecular Informatics|July 28, 2018
Chemistry-driven Hit-to-lead Optimization Guided by Structure-based ApproachesLaurent Hoffer, Christophe Muller, Philippe Roche, et al.Molecular Informatics|April 29, 2017
Identification of Sequence Variants within Experimentally Validated Protein Interaction Sites Provides New Insights into Molecular Mechanisms of Disease DevelopmentBlaz Skrlj, Janez Konc, Tanja KunejMolecular Informatics|April 29, 2017
Two Perturbations for Geometry Optimization of Off-lattice Bead Protein ModelsHiroshi TakeuchiMolecular Informatics|April 29, 2017
Investigating the Importance of the Pocket-estimation Method in Pocket-based Approaches: An Illustration Using Pocket-ligand ClassificationGéraldine Caumes, Alexandre Borrel, Hiba Abi Hussein, et al.Molecular Informatics|May 24, 2018
CDPBC: A Software Application for Estimation of Concentration Dependent Plasma Binding Capacity of Small MoleculeOm Prakash, Upendra Nath DwivediMolecular Informatics|May 12, 2018
AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space AnalysisPavel Sidorov, Elisabeth Davioud-Charvet, Gilles Marcou, et al.Molecular Informatics|September 20, 2016
Chemotherapy Drug Response to the L858R-induced Conformational Change of EGFR Activation Loop in Lung CancerXi Ding, Xingcai Liu, Xiaoyun Song, et al.Molecular Informatics|June 20, 2017
Ensemble Architecture for Prediction of Enzyme-ligand Binding Residues Using Evolutionary InformationPriyadarshini P Pai, Rohit Kadam Dattatreya, Sukanta MondalMolecular Informatics|August 31, 2016
Hierarchical Analysis of Bioactive Matched Molecular Pairs, Encoded Chemical Transformations, and Associated SubstructuresYe Hu, Jürgen BajorathPageof 101