Pär Bjelkmar

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

Sander Pronk, Szilárd Páll, Roland Schulz et al. · Bioinformatics · 2013 · 7.4K citations · Full text

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

Pär Bjelkmar, Per Larsson, Michel A. Cuendet et al. · Journal of Chemical Theory and Computation · 2010 · 1.2K citations

Virtual Interaction Sites, Biophysical Modeling, Engineering +23

Membrane Proteins Diffuse as Dynamic Complexes with Lipids

Perttu Niemelä, Markus S. Miettinen, Luca Monticelli et al. · Journal of the American Chemical Society · 2010 · 175 citations

Tracking a complete voltage-sensor cycle with metal-ion bridges

Ulrike Henrion, Jakob Renhorn, Sara I. Börjesson et al. · Proceedings of the National Academy of Sciences · 2012 · 143 citations · Full text

Biophysical Modeling, Engineering, Molecular Biology +21

Conformational Changes and Slow Dynamics through Microsecond Polarized Atomistic Molecular Simulation of an Integral Kv1.2 Ion Channel

Pär Bjelkmar, Perttu Niemelä, Ilpo Vattulainen et al. · PLoS Computational Biology · 2009 · 112 citations · Full text

Crystal Structure, Biophysical Modeling, Molecular Biology +20