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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.Journal of Chemical Theory and Computation|December 2, 2018
Interpretation of Interfacial Protein Spectra with Enhanced Molecular Simulation EnsemblesHelmut Lutz, Vance Jaeger, Tobias Weidner, 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.Plos One|May 12, 2011
Mapping the conformational dynamics and pathways of spontaneous steric zipper Peptide oligomerizationDirk Matthes, Vytautas Gapsys, Venita Daebel, et al.Biophysical Journal|August 17, 2011
Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detailCarsten Kutzner, Helmut Grubmüller, Bert L de Groot, et al.Physical Chemistry Chemical Physics : PCCP|July 8, 2010
Dynamics and energetics of solute permeation through the Plasmodium falciparum aquaglyceroporinCamilo Aponte-Santamaría, Jochen S Hub, Bert L de GrootBiophysical Journal|April 24, 2019
Lipid Bilayer Composition Influences the Activity of the Antimicrobial Peptide Dermcidin ChannelChen Song, Bert L de Groot, Mark S P SansomJournal of Computer-Aided Molecular Design|November 24, 2020
Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and softwareYuriy Khalak, Gary Tresadern, Bert L de Groot, et al.Structure (London, England : 1993)|October 10, 2006
Ligand-release pathways in the pheromone-binding protein of Bombyx moriFrauke Gräter, Bert L de Groot, Hualiang Jiang, et al.Proteins|December 18, 2008
Domain motions of hyaluronan lyase underlying processive hyaluronan translocationHarshad V Joshi, Mark J Jedrzejas, Bert L de GrootPageof 22