Showing results (11-20 of 203) with videos related to
Sort By:
Pageof 21
ACS Central Science|September 5, 2019
Predicting Kinase Inhibitor Resistance: Physics-Based and Data-Driven ApproachesMatteo Aldeghi, Vytautas Gapsys, Bert L de GrootJournal of Molecular Biology|February 14, 2012
Driving forces and structural determinants of steric zipper peptide oligomer formation elucidated by atomistic simulationsDirk Matthes, Vytautas Gapsys, Bert L de GrootMethods in Molecular Biology (Clifton, N.J.)|October 10, 2018
Accurate Calculation of Free Energy Changes upon Amino Acid MutationMatteo Aldeghi, Bert L de Groot, Vytautas GapsysJournal of Chemical Theory and Computation|April 2, 2025
Improving pKa Predictions with Reparameterized Force Fields and Free Energy CalculationsCarter J Wilson, Vytautas Gapsys, Bert L de GrootJournal of Computational Chemistry|March 12, 2024
Resolving coupled pH titrations using alchemical free energy calculationsCarter J Wilson, Bert L de Groot, Vytautas GapsysPlos One|May 12, 2011
Mapping the conformational dynamics and pathways of spontaneous steric zipper Peptide oligomerizationDirk Matthes, Vytautas Gapsys, Venita Daebel, et al.Current Opinion in Structural Biology|July 19, 2024
Biomolecular simulations at the exascale: From drug design to organelles and beyondVytautas Gapsys, Wojciech Kopec, Dirk Matthes, et al.Angewandte Chemie (International Ed. in English)|April 29, 2016
Accurate and Rigorous Prediction of the Changes in Protein Free Energies in a Large-Scale Mutation ScanVytautas Gapsys, Servaas Michielssens, Daniel Seeliger, et al.ACS Chemical Neuroscience|September 15, 2017
Resolving the Atomistic Modes of Anle138b Inhibitory Action on Peptide Oligomer FormationDirk Matthes, Vytautas Gapsys, Christian Griesinger, et al.Journal of Computational Chemistry|December 10, 2014
pmx: Automated protein structure and topology generation for alchemical perturbationsVytautas Gapsys, Servaas Michielssens, Daniel Seeliger, et al.Pageof 21