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Journal of Chemical Information and Modeling|August 10, 2023
Converging PMF Calculations of Antibiotic Permeation across an Outer Membrane Porin with Subkilocalorie per Mole AccuracyJeremy Lapierre, Jochen S HubJournal of Chemical Information and Modeling|August 7, 2023
FFMDFPA: A FAIRification Framework for Materials Data with No-Code Flexible Semi-Structured Parser and Application Programming InterfacesBing He, Zhuming Gong, Maxim Avdeev, et al.Journal of Chemical Information and Modeling|August 9, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo DesignGiuseppe Lamanna, Pietro Delre, Gilles Marcou, et al.Journal of Chemical Information and Modeling|August 11, 2023
AttenSyn: An Attention-Based Deep Graph Neural Network for Anticancer Synergistic Drug Combination PredictionTianshuo Wang, Ruheng Wang, Leyi WeiJournal of Chemical Information and Modeling|August 4, 2023
DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water into Nonfitting Protein-Ligand Binding Affinity PredictionJiaqi Liu, Jian Wan, Yanliang Ren, et al.Journal of Chemical Information and Modeling|August 22, 2023
In Silico Prediction and Biophysical Validation of Novel 14-3-3σ Homodimer StabilizersGhazi Aljabal, Aik-Hong Teh, Beow Keat YapJournal of Chemical Information and Modeling|August 21, 2023
Comment on the Definition and Labeling of pK50Mark A Watson, Ryne C Johnston, Art BochevarovJournal of Chemical Information and Modeling|August 16, 2023
pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small MoleculesSarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung, et al.Journal of Chemical Information and Modeling|August 15, 2023
Hydrophobicity─A Single Parameter for the Accurate Prediction of Disordered Regions in ProteinsNitin Kumar Singh, Pratyasha Bhardwaj, Mithun RadhakrishnaJournal of Chemical Information and Modeling|August 18, 2023
A Hybrid Structure-Based Machine Learning Approach for Predicting Kinase Inhibition by Small MoleculesChangchang Liu, Peter Kutchukian, Nhan D Nguyen, et al.Pageof 909