77 citations · 90 across the 3 of their papers we have counts for
3 papers
Systematic Analysis of Biomolecular Conformational Ensembles with PENSA
Martin Vögele, Neil J. Thomson, Sang T. Truong +3
Atomic-level simulations are widely used to study biomolecules and their dynamics. A common goal in such studies is to compare simulations of a molecular system under several condi…
Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri- and tetra-layer systems
Pedro A. Sánchez, Martin Vögele, Jens Smiatek +3
By employing large-scale molecular dynamics simulations of atomistically resolved oligoelectrolytes in aqueous solutions, we study in detail the first four layer-by-layer depositio…
Hydrodynamics of Diffusion in Lipid Membrane Simulations
Martin Vögele, Jürgen Köfinger, Gerhard Hummer
By performing molecular dynamics simulations with up to 132 million coarse-grained particles in half-micron sized boxes, we show that hydrodynamics quantitatively explains the fini…