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Journal of Chemical Information and Modeling|October 31, 2022
Qualitative Estimation of Protein-Ligand Complex Stability through Thermal Titration Molecular Dynamics SimulationsMatteo Pavan, Silvia Menin, Davide Bassani, et al.Journal of Chemical Information and Modeling|November 1, 2022
Interpretable Graph Transformer Network for Predicting Adsorption Isotherms of Metal-Organic FrameworksPin Chen, Rui Jiao, Jinyu Liu, et al.Journal of Chemical Information and Modeling|October 21, 2022
Assessment of the Generalization Abilities of Machine-Learning Scoring Functions for Structure-Based Virtual ScreeningHui Zhu, Jincai Yang, Niu HuangJournal of Chemical Information and Modeling|November 2, 2022
An Integrated Machine Learning Model To Spot Peptide Binding Pockets in 3D Protein ScreeningDaniela Trisciuzzi, Lydia Siragusa, Massimo Baroni, et al.Journal of Chemical Information and Modeling|October 26, 2022
IntEnzyDB: an Integrated Structure-Kinetics Enzymology DatabaseBailu Yan, Xinchun Ran, Anvita Gollu, et al.Journal of Chemical Information and Modeling|September 3, 2025
MGRL-DDI: Multiview Graph Representation Learning for Accurate Drug-Drug Interaction PredictionPeng Xiong, Hu Chen, Jiaxu Zhou, et al.Journal of Chemical Information and Modeling|September 7, 2025
Multiview Deep Learning Framework for Precise Prediction of Transcription Factor Binding SitesYiben Lin, Huiliang Luo, Liang Yan, et al.Journal of Chemical Information and Modeling|August 3, 2016
Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?Serge Christmann-Franck, Gerard J P van Westen, George Papadatos, et al.Journal of Chemical Information and Modeling|August 3, 2016
Steered Molecular Dynamics Simulations Predict Conformational Stability of Glutamate ReceptorsMaria Musgaard, Philip C BigginJournal of Chemical Information and Modeling|June 13, 2015
ChemCom: A Software Program for Searching and Comparing Chemical LibrariesSirus Saeedipour, David Tai, Jianwen FangPageof 909