Berk Hess
Berk Hess
KTH Royal Institute of Technology, Stockholm, Sweden; Science for Life Laboratory, Stockholm, Sweden
Bestätigte E-Mail-Adresse bei scilifelab.se
TitelZitiert vonJahr
GROMACS 4: algorithms for highly efficient, load-balanced, and scalable molecular simulation
B Hess, C Kutzner, D Van Der Spoel, E Lindahl
Journal of chemical theory and computation 4 (3), 435-447, 2008
111672008
GROMACS: fast, flexible, and free
D Van Der Spoel, E Lindahl, B Hess, G Groenhof, AE Mark, ...
Journal of computational chemistry 26 (16), 1701-1718, 2005
87972005
LINCS: a linear constraint solver for molecular simulations
B Hess, H Bekker, HJC Berendsen, JGEM Fraaije
Journal of computational chemistry 18 (12), 1463-1472, 1997
87011997
GROMACS 3.0: a package for molecular simulation and trajectory analysis
E Lindahl, B Hess, D Van Der Spoel
Molecular modeling annual 7 (8), 306-317, 2001
63302001
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
S Pronk, S Páll, R Schulz, P Larsson, P Bjelkmar, R Apostolov, MR Shirts, ...
Bioinformatics 29 (7), 845-854, 2013
38682013
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl
SoftwareX 1, 19-25, 2015
25972015
P-LINCS: A parallel linear constraint solver for molecular simulation
B Hess
Journal of Chemical Theory and Computation 4 (1), 116-122, 2008
14882008
Improving efficiency of large timescale molecular dynamics simulations of hydrogen-rich systems
KA Feenstra, B Hess, HJC Berendsen
J Comput Chem 20, 786-798, 1999
6431999
Determining the shear viscosity of model liquids from molecular dynamics simulations
B Hess
The Journal of chemical physics 116 (1), 209-217, 2002
5132002
Determining the shear viscosity of model liquids from molecular dynamics simulations
B Hess
The Journal of chemical physics 116 (1), 209-217, 2002
5132002
Implementation of the CHARMM force field in GROMACS: analysis of protein stability effects from correction maps, virtual interaction sites, and water models
P Bjelkmar, P Larsson, MA Cuendet, B Hess, E Lindahl
Journal of Chemical Theory and Computation 6 (2), 459-466, 2010
4702010
Convergence of sampling in protein simulations
B Hess
Physical Review E 65 (3), 031910, 2002
3322002
Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models
B Hess, NFA van der Vegt
The journal of physical chemistry B 110 (35), 17616-17626, 2006
2912006
Similarities between principal components of protein dynamics and random diffusion
B Hess
Physical Review E 62 (6), 8438, 2000
2772000
Photoactivation of the photoactive yellow protein: why photon absorption triggers a trans-to-cis isomerization of the chromophore in the protein
G Groenhof, M Bouxin-Cademartory, B Hess, SP De Visser, ...
Journal of the American Chemical Society 126 (13), 4228-4233, 2004
2612004
Tackling exascale software challenges in molecular dynamics simulations with GROMACS
S Pall, MJ Abraham, C Kutzner, B Hess, E Lindahl
International Conference on Exascale Applications and Software, 3-27, 2014
2282014
Cation specific binding with protein surface charges
B Hess, NFA van der Vegt
Proceedings of the National Academy of Sciences 106 (32), 13296-13300, 2009
2102009
A flexible algorithm for calculating pair interactions on SIMD architectures
S Páll, B Hess
Computer Physics Communications 184 (12), 2641-2650, 2013
1982013
Reproducible polypeptide folding and structure prediction using molecular dynamics simulations
MM Seibert, A Patriksson, B Hess, D Van Der Spoel
Journal of molecular biology 354 (1), 173-183, 2005
1792005
Analysis and evaluation of channel models: simulations of alamethicin
DP Tieleman, B Hess, MSP Sansom
Biophysical journal 83 (5), 2393-2407, 2002
1412002
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