A systematic framework for molecular dynamics simulations of protein post-translational modifications.

por Drazen Petrov, Christian Margreitter, Melanie Grandits, Chris Oostenbrink, Bojan Zagrovic
Publicado 2013

DockStream: a docking wrapper to enhance de novo molecular design

por Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter
Publicado 2021