Publications by authors named "Axel Kohlmeyer"

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Expanded Functionality and Portability for the Colvars Library.
Giacomo Fiorin, Fabrizio Marinelli, Lucy R Forrest, Haochuan Chen, Christophe Chipot, Axel Kohlmeyer

J Phys Chem B· November 2024

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Type Label Framework for Bonded Force Fields in LAMMPS.
Jacob R Gissinger, Ilia Nikiforov, Yaser Afshar, Brendon Waters, Moon-Ki Choi, Axel Kohlmeyer

J Phys Chem B· April 2024

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TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD.
Josh V Vermaas, David J Hardy, John E Stone, Emad Tajkhorshid, Axel Kohlmeyer

J Chem Inf Model· June 2016

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Surfactin at the Water/Air Interface and in Solution.
Javier Iglesias-Fernández, Leonardo Darré, Axel Kohlmeyer, Robert K Thomas, Hsin-Hui Shen

Langmuir· October 2015

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Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation.
Rolf E Isele-Holder, Wayne Mitchell, Jeff R Hammond, Axel Kohlmeyer, Ahmed E Ismail

J Chem Theory Comput· December 2013

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Self-assembly of charged surfactants: full comparison of molecular simulations and scattering experiments.
Arben Jusufi, Axel Kohlmeyer, Michael Sztucki, Theyencheri Narayanan, Matthias Ballauff

Langmuir· December 2012

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Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics.
Benjamin G Levine, David N LeBard, Russell DeVane, Wataru Shinoda, Axel Kohlmeyer

J Chem Theory Comput· December 2011

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Fast Analysis of Molecular Dynamics Trajectories with Graphics Processing Units-Radial Distribution Function Histogramming.
Benjamin G Levine, John E Stone, Axel Kohlmeyer

J Comput Phys· May 2011

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Ab initio molecular dynamics study of supercritical carbon dioxide including dispersion corrections.
Sundaram Balasubramanian, Axel Kohlmeyer, Michael L Klein

J Chem Phys· October 2009

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Free energy landscape of a DNA-carbon nanotube hybrid using replica exchange molecular dynamics.
Robert R Johnson, Axel Kohlmeyer, A T Charlie Johnson, Michael L Klein

Nano Lett· February 2009

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Probing peptide nanotube self-assembly at a liquid-liquid interface with coarse-grained molecular dynamics.
Ekta Khurana, Russell H DeVane, Axel Kohlmeyer, Michael L Klein

Nano Lett· November 2008

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Inverse temperature transition of a biomimetic elastin model: reactive flux analysis of folding/unfolding and its coupling to solvent dielectric relaxation.
Marcel Baer, Eduard Schreiner, Axel Kohlmeyer, Roger Rousseau, Dominik Marx

J Phys Chem B· March 2006

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Folding and unfolding of an elastinlike oligopeptide: "inverse temperature transition," reentrance, and hydrogen-bond dynamics.
Eduard Schreiner, Chiara Nicolini, Björn Ludolph, Revanur Ravindra, Nikolaj Otte, Axel Kohlmeyer

Phys Rev Lett· April 2004

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Temperature-dependent conformational transitions and hydrogen-bond dynamics of the elastin-like octapeptide GVG(VPGVG): a molecular-dynamics study.
Roger Rousseau, Eduard Schreiner, Axel Kohlmeyer, Dominik Marx

Biophys J· March 2004

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