Perturbation Free-Energy Toolkit: An Automated Alchemical Topology Builder

por Petrov, Drazen
Publicado 2021

Microscopic Analysis of Protein Oxidative Damage: Effect of Carbonylation on Structure, Dynamics, and Aggregability of Villin Headpiece

por Petrov, Drazen, Zagrovic, Bojan
Publicado 2011

Correction to Microscopic Analysis of Protein Oxidative Damage: Effect of Carbonylation on Structure, Dynamics, and Aggregability of Villin Headpiece

por Petrov, Drazen, Zagrovic, Bojan
Publicado 2014

Are Current Atomistic Force Fields Accurate Enough to Study Proteins in Crowded Environments?

por Petrov, Drazen, Zagrovic, Bojan
Publicado 2014

Vienna-PTM web server: a toolkit for MD simulations of protein post-translational modifications

por Margreitter, Christian, Petrov, Drazen, Zagrovic, Bojan
Publicado 2013

Effect of Oxidative Damage on the Stability and Dimerization of Superoxide Dismutase 1

por Petrov, Drazen, Daura, Xavier, Zagrovic, Bojan
Publicado 2016

Toward Automated Free Energy Calculation with Accelerated Enveloping Distribution Sampling (A-EDS)

por Perthold, Jan Walther, Petrov, Dražen, Oostenbrink, Chris
Publicado 2020

Optimization of Alchemical Pathways Using Extended Thermodynamic Integration

por de Ruiter, Anita, Petrov, Drazen, Oostenbrink, Chris
Publicado 2020

Exploring the structure and dynamics of proteins in soil organic matter

por Gotsmy, Mathias, Escalona, Yerko, Oostenbrink, Chris, Petrov, Drazen
Publicado 2021

Molecular modelling of sorption processes of a range of diverse small organic molecules in Leonardite humic acid

por Petrov, Drazen, Tunega, Daniel, Gerzabek, Martin H., Oostenbrink, Chris
Publicado 2019

A Systematic Framework for Molecular Dynamics Simulations of Protein Post-Translational Modifications

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

Enhancing the promiscuity of a member of the Caspase protease family by rational design

por Öhlknecht, Christoph, Petrov, Drazen, Engele, Petra, Kröß, Christina, Sprenger, Bernhard, Fischer, Andreas, Lingg, Nico, Schneider, Rainer, Oostenbrink, Chris
Publicado 2020