Showing results (1-10 of 50) with videos related to
Sort By:
Pageof 5
Journal of Computer-Aided Molecular Design|February 16, 2024
Molecule auto-correction to facilitate molecular designAlan Kerstjens, Hans De WinterJournal of Cheminformatics|January 16, 2022
LEADD: Lamarckian evolutionary algorithm for de novo drug designAlan Kerstjens, Hans De WinterJournal of Cheminformatics|September 26, 2023
A molecule perturbation software library and its application to study the effects of molecular design constraintsAlan Kerstjens, Hans De WinterJournal of Cheminformatics|November 11, 2025
C2PO: an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modificationRoy Aerts, Joris Tavernier, Alan Kerstjens, et al.Journal of Chemical Information and Modeling|October 19, 2018
Molecular Dynamics Simulations of Membrane Proteins: An OverviewKenneth Goossens, Hans De WinterJournal of Cheminformatics|February 27, 2024
Preventing lipophilic aggregation in cosolvent molecular dynamics simulations with hydrophobic probes using Plumed Automatic Restraining Tool (PART)Olivier Beyens, Hans De WinterJournal of Molecular Graphics & Modelling|May 20, 2008
Pharao: pharmacophore alignment and optimizationJonatan Taminau, Gert Thijs, Hans De WinterJournal of Cheminformatics|April 8, 2025
A beginner's approach to deep learning applied to VS and MD techniquesStijn D'Hondt, José Oramas, Hans De WinterJournal of Molecular Graphics & Modelling|March 23, 2005
Inhibitor-based validation of a homology model of the active-site of tripeptidyl peptidase IIHans De Winter, Henry Breslin, Tamara Miskowski, et al.Journal of Chemical Information and Modeling|August 14, 2020
A Computational and Modeling Study of the Reaction Mechanism of <i>Staphylococcus aureus</i> Monoglycosyltransferase Reveals New Insights on the GT51 Family of EnzymesKenneth Goossens, Rui Pp Neves, Pedro A Fernandes, et al.Pageof 5