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Journal of Chemical Information and Modeling|July 1, 2024
Ligand-Based Compound Activity Prediction via Few-Shot LearningPeter Eckmann, Jake Anderson, Rose Yu, et al.Arxiv|December 11, 2023
Target-Free Compound Activity Prediction via Few-Shot LearningPeter Eckmann, Jake Anderson, Michael K Gilson, et al.Proceedings of Machine Learning Research|October 4, 2022
LIMO: Latent Inceptionism for Targeted Molecule GenerationPeter Eckmann, Kunyang Sun, Bo Zhao, et al.Journal of Chemical Theory and Computation|December 3, 2015
Sensitivity Analysis and Charge-Optimization for Flexible Ligands: Applicability to Lead OptimizationMichael K GilsonJournal of Chemical Theory and Computation|June 25, 2013
Stress Analysis at the Molecular Level: A Forced Cucurbituril-Guest Dissociation PathwayMichael K GilsonPhysical Chemistry Chemical Physics : PCCP|April 20, 2021
Mechanistic analysis of light-driven overcrowded alkene-based molecular motors by multiscale molecular simulationsMudong Feng, Michael K GilsonJournal of Chemical Theory and Computation|March 27, 2024
Free Energy Density of a Fluid and Its Role in Solvation and BindingMichael K Gilson, Tom KurtzmanPlos One|March 8, 2023
PreprintMatch: A tool for preprint to publication detection shows global inequities in scientific publicationPeter Eckmann, Anita BandrowskiBiophysical Journal|July 9, 2004
On the theory of noncovalent bindingMihail Mihailescu, Michael K GilsonJournal of Computational Chemistry|October 24, 2002
Enhanced docking with the mining minima optimizer: acceleration and side-chain flexibilityVisvaldas Kairys, Michael K GilsonPageof 19