Showing results (31-40 of 560) with videos related to
Sort By:
Pageof 56
Expert Opinion on Drug Discovery|April 4, 2015
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinitiesSamuel Genheden, Ulf RydeJournal of Chemical Theory and Computation|July 24, 2025
Reproducibility of QM/MM Calculations for the SARS-CoV-2 Main ProteaseXiaoli Sun, Ulf RydeChemistry (Weinheim an Der Bergstrasse, Germany)|January 10, 2022
Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide LigandHao Jiang, Ulf RydeJournal of Computer-Aided Molecular Design|September 11, 2008
An improved method to predict the entropy term with the MM/PBSA approachJacob Kongsted, Ulf RydeJournal of Computational Chemistry|July 15, 2009
How to obtain statistically converged MM/GBSA resultsSamuel Genheden, Ulf RydePhysical Chemistry Chemical Physics : PCCP|May 23, 2012
Will molecular dynamics simulations of proteins ever reach equilibrium?Samuel Genheden, Ulf RydeProteins|January 26, 2012
Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energiesSamuel Genheden, Ulf RydeJournal of Inorganic Biochemistry|September 1, 2004
Protonation status of metal-bound ligands can be determined by quantum refinementKristina Nilsson, Ulf RydeThe Journal of Physical Chemistry. B|June 15, 2006
Structure of reduced and oxidized manganese superoxide dismutase: a combined computational and experimental approachLubomír Rulísek, Ulf RydeJournal of Chemical Theory and Computation|November 25, 2015
Comparison of the Efficiency of the LIE and MM/GBSA Methods to Calculate Ligand-Binding EnergiesSamuel Genheden, Ulf RydePageof 56