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David van der Spoel
David van der Spoel
Professor of Biology, Uppsala University
Bestätigte E-Mail-Adresse bei xray.bmc.uu.se
Titel
Zitiert von
Zitiert von
Jahr
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
B Hess, C Kutzner, D Spoel, E Lindahl
J. Chem. Theory. Comput 4, 435-447, 2008
166232008
GROMACS: fast, flexible, and free
D Van Der Spoel, B Hess, E Lindahl, AE Mark, G Groenhof, ...
J. Comput. Chem 26 (16), 1701-1718, 2005
163002005
GROMACS: A message-passing parallel molecular dynamics implementation
HJC Berendsen, D van der Spoel, R van Drunen
Computer physics communications 91 (1-3), 43-56, 1995
105791995
GROMACS 3.0: a package for molecular simulation and trajectory analysis
E Lindahl, B Hess, D Van Der Spoel
Molecular modeling annual 7, 306-317, 2001
78792001
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
73742013
Potential for biomolecular imaging with femtosecond X-ray pulses
R Neutze, R Wouts, D Van der Spoel, E Weckert, J Hajdu
Nature 406 (6797), 752-757, 2000
24082000
GROMACS: fast, flexible, and free
DVD Spoel, E Lindahl, B Hess, G Groenhof, AE Mark, HJC Berendsen
J Comput Chem 26 (16), 1701-1718, 2005
18412005
g_wham A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates
JS Hub, BL De Groot, D Van Der Spoel
Journal of chemical theory and computation 6 (12), 3713-3720, 2010
14852010
Femtosecond diffractive imaging with a soft-X-ray free-electron laser
HN Chapman, A Barty, MJ Bogan, S Boutet, M Frank, SP Hau-Riege, ...
Nature Physics 2 (12), 839-843, 2006
12572006
GROMACS user manual version 3.2
D van der Spoel, E Lindahl, B Hess, AR Van Buuren, E Apol, ...
Nijenborgh 4, 9747, 2004
9002004
Water determines the structure and dynamics of proteins
MC Bellissent-Funel, A Hassanali, M Havenith, R Henchman, P Pohl, ...
Chemical reviews 116 (13), 7673-7697, 2016
8052016
Force field benchmark of organic liquids: density, enthalpy of vaporization, heat capacities, surface tension, isothermal compressibility, volumetric expansion coefficient, and …
C Caleman, PJ Van Maaren, M Hong, JS Hub, LT Costa, D Van Der Spoel
Journal of chemical theory and computation 8 (1), 61-74, 2012
7862012
A systematic study of water models for molecular simulation: derivation of water models optimized for use with a reaction field
D Van der Spoel, PJ Van Maaren, HJC Berendsen
The Journal of chemical physics 108 (24), 10220-10230, 1998
7531998
Gromacs-a parallel computer for molecular-dynamics simulations
H Bekker, HJC Berendsen, EJ Dijkstra, S Achterop, R Vondrumen, ...
4th international conference on computational physics (PC 92), 252-256, 1993
6121993
the GROMACS development team
MJ Abraham, D Van Der Spoel, E Lindahl, B Hess
GROMACS user manual version 5 (4), 2016
581*2016
A temperature predictor for parallel tempering simulations
A Patriksson, D van der Spoel
Physical Chemistry Chemical Physics 10 (15), 2073-2077, 2008
5482008
Efficient docking of peptides to proteins without prior knowledge of the binding site
C Hetényi, D van der Spoel
Protein science 11 (7), 1729-1737, 2002
5272002
Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media
D Van der Spoel, PJ van Maaren, P Larsson, N Tîmneanu
The Journal of Physical Chemistry B 110 (9), 4393-4398, 2006
4892006
Atomic-scale visualization of inertial dynamics
AM Lindenberg, J Larsson, K Sokolowski-Tinten, KJ Gaffney, C Blome, ...
Science 308 (5720), 392-395, 2005
4192005
Clocking femtosecond X rays
AL Cavalieri, DM Fritz, SH Lee, PH Bucksbaum, DA Reis, J Rudati, ...
Physical review letters 94 (11), 114801, 2005
3662005
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