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Journal of Chemical Information and Modeling|December 4, 2020
FragRep: A Web Server for Structure-Based Drug Design by Fragment ReplacementJinwen Shan, Xiaolin Pan, Xingyu Wang, et al.Journal of Chemical Information and Modeling|December 15, 2018
Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression ModelingTomoyuki Miyao, Kimito Funatsu, Jürgen BajorathJournal of Chemical Information and Modeling|December 15, 2018
Toward Multiscale Modeling of Proteins and Bioagglomerates: An Orientation-Sensitive Diffusion Model for the Integration of Molecular Dynamics and the Discrete Element MethodPhilipp Nicolas Depta, Uwe Jandt, Maksym Dosta, et al.Journal of Chemical Information and Modeling|November 28, 2018
Comparative Binding Analysis of N-Acetylneuraminic Acid in Bovine Serum Albumin and Human α-1 Acid GlycoproteinSubramani Karthikeyan, Ganesan Bharanidharan, Sriram Ragavan, et al.Journal of Chemical Information and Modeling|November 28, 2018
Comparative Assessment of Scoring Functions: The CASF-2016 UpdateMinyi Su, Qifan Yang, Yu Du, et al.Journal of Chemical Information and Modeling|November 29, 2018
Prediction of CRISPR sgRNA Activity Using a Deep Convolutional Neural NetworkLi Xue, Bin Tang, Wei Chen, et al.Journal of Chemical Information and Modeling|November 29, 2018
Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency PredictionTomoyuki Miyao, Kimito Funatsu, Jürgen BajorathJournal of Chemical Information and Modeling|March 7, 2018
Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An OverviewSereina RinikerJournal of Chemical Information and Modeling|December 30, 2017
Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A ReviewDarwin Y Fu, Jens MeilerJournal of Chemical Information and Modeling|December 19, 2018
Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine LearningMahendra Awale, Jean-Louis ReymondPageof 909