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Journal of Computational Chemistry|May 16, 2025
Non-Covalent Molecular Interaction Rules to Define Internal Dimer Coordinates for Quantum Mechanical Potential Energy ScansSuliman Sharif, Anmol Kumar, Alexander D MacKerellJournal of Chemical Information and Modeling|August 2, 2022
Preserving the Integrity of Empirical Force FieldsAsuka A Orr, Suliman Sharif, Junmei Wang, et al.Journal of Chemical Theory and Computation|March 4, 2025
Increasing the Accuracy and Robustness of the CHARMM General Force Field with an Expanded Training SetAnastasia Croitoru, Anmol Kumar, Jean-Christophe Lambry, et al.Frontiers in Artificial Intelligence|August 29, 2025
BioBricks.ai: a versioned data registry for life sciences data assetsYifan Gao, Zakariyya Mughal, Jose A Jaramillo-Villegas, et al.Arxiv|September 10, 2024
BioBricks.ai: A Versioned Data Registry for Life Sciences Data AssetsYifan Gao, Zakariyya Mughal, Jose A Jaramillo-Villegas, et al.Computers in Biology and Medicine|June 27, 2025
De novo design and bioactivity prediction of mitotic kinesin Eg5 inhibitors using MPNN and LSTM-based transfer learningDamilola Samuel Bodun, Isiaka O Ibrahim, Mujeebat Bashiru, et al.Pageof 1