Showing 1–11 of 11 results
/ Date/ Name
May 29, 2017Atomic radius and charge parameter uncertainty in biomolecular solvation energy calculationsMay 13, 2021Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarksSep 12, 2016Bayesian Model Averaging for Ensemble-Based Estimates of Solvation Free EnergiesFeb 3, 2015A proposal for regularly updated review/survey articles: "Perpetual Reviews"Jul 21, 2003Hysteresis loops of Co-Pt perpendicular magnetic multilayersJul 9, 2003Simulations of Oligomeric Intermediates in Prion DiseasesJul 29, 2003Modeling Amyloid Beta Peptide Insertion into Lipid BilayersAug 7, 2020Best Practices for Alchemical Free Energy CalculationsJul 18, 2020Kinetics and Free Energy of Ligand Dissociation Using Weighted Ensemble MilestoningJul 13, 2023Machine-learned molecular mechanics force field for the simulation of protein-ligand systems and beyondMar 2, 2023Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields