Helmut Grubmüller
Orcid: 0000-0002-3270-3144
According to our database1,
Helmut Grubmüller
authored at least 31 papers
between 1998 and 2024.
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Bibliography
2024
Constant pH Simulation with FMM Electrostatics in GROMACS. (B) GPU Accelerated Hamiltonian Interpolation.
CoRR, 2024
Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications.
CoRR, 2024
2023
Conformational Dynamics of the Most Efficient Carboxylase Contributes to Efficient CO<sub>2</sub> Fixation.
J. Chem. Inf. Model., December, 2023
2022
J. Chem. Inf. Model., 2022
2021
Int. J. High Perform. Comput. Appl., 2021
GROMACS implementation of free energy calculations with non-pairwise Variationally derived Intermediates.
Comput. Phys. Commun., 2021
Implementation of a Bayesian secondary structure estimation method for the SESCA circular dichroism analysis package.
Comput. Phys. Commun., 2021
2020
Proceedings of the Software for Exascale Computing - SPPEXA 2016-2019, 2020
PLoS Comput. Biol., 2020
2019
J. Comput. Chem., 2019
2016
Corrigendum: g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.
J. Comput. Chem., 2016
BASDet: Bayesian approach(es) for structure determination from single molecule X-ray diffraction images.
Comput. Phys. Commun., 2016
Comput. Phys. Commun., 2016
2015
J. Comput. Chem., 2015
do_x3dna: a tool to analyze structural fluctuations of dsDNA or dsRNA from molecular dynamics simulations.
Bioinform., 2015
2013
Comput. Phys. Commun., 2013
Proceedings of the Parallel Computing: Accelerating Computational Science and Engineering (CSE), 2013
2012
J. Comput. Chem., 2012
2011
Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.
J. Comput. Chem., 2011
2010
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation.
J. Comput. Chem., 2010
2009
Accuracy and convergence of free energy differences calculated from nonequilibrium switching processes.
J. Comput. Chem., 2009
Comput. Phys. Commun., 2009
2008
PLoS Comput. Biol., 2008
PLoS Comput. Biol., 2008
2007
2006
J. Comput. Chem., 2006
Proceedings of the Recent Advances in Parallel Virtual Machine and Message Passing Interface, 2006
1999
Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999
1998
Multiple time step algorithms for molecular dynamics simulations of proteins: How good are they?
J. Comput. Chem., 1998