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David van der Spoel

Science for Life Laboratory SE

ORCID iD 0000-0002-7659-8526
248
Publications
78,398
Citations
65
H-Index
147
i10-Index
4.68
2yr Mean Cite
-
Cite/Paper
Data combined from OpenAlex + Semantic Scholar. OA = OpenAlex S2 = Semantic Scholar
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Publication & Citation Trends

Publications

246 total

Water Determines the Structure and Dynamics of Proteins PDF

Marie‐Claire Bellissent‐Funel, Ali Hassanali, Martina Havenith, Richard H. Henchman, Peter Pohl et al. - Chemical Reviews, 2016
Cited by 931 OpenAlex

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit PDF

Sander Pronk, Szilárd Páll, Roland Schulz, Per Larsson, Pär Bjelkmar et al. - Bioinformatics, 2013
Cited by 7,503 OpenAlex

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant PDF

Carl Caleman, Paul J. van Maaren, Minyan Hong, Jochen S. Hub, Luciano T. Costa et al. - Journal of Chemical Theory and Computation, 2011
Cited by 749 OpenAlex

g_wham—A Free Weighted Histogram Analysis Implementation Including Robust Error and Autocorrelation Estimates PDF

Jochen S. Hub, Bert L. de Groot, David van der Spoel - Journal of Chemical Theory and Computation, 2010
Cited by 1,688 OpenAlex

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation PDF

Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl - Journal of Chemical Theory and Computation, 2008
Cited by 15,913 OpenAlex

A temperature predictor for parallel tempering simulations

Alexandra Patriksson, David van der Spoel - Physical Chemistry Chemical Physics, 2008
Cited by 506 OpenAlex

Femtosecond diffractive imaging with a soft-X-ray free-electron laser PDF

Henry N. Chapman, Anton Barty, Michael J. Bogan, Sébastien Boutet, Matthias Frank et al. - Nature Physics, 2006
Cited by 1,018 OpenAlex

Thermodynamics of Hydrogen Bonding in Hydrophilic and Hydrophobic Media

David van der Spoel, Paul J. van Maaren, Per Larsson, Nicuşor Tı̂mneanu - The Journal of Physical Chemistry B, 2006
Cited by 502 OpenAlex

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess, Gerrit Groenhof, Alan E. Mark et al. - Journal of Computational Chemistry, 2005
Cited by 18,714 OpenAlex

GROMACS 3.0: a package for molecular simulation and trajectory analysis

Erik Lindahl, Berk Hess, David van der Spoel - Journal of Molecular Modeling, 2001
Cited by 6,932 OpenAlex

Research Topics

Protein Structure and Dynamics (82) Spectroscopy and Quantum Chemical Studies (49) Enzyme Structure and Function (32) Advanced Chemical Physics Studies (23) Mass Spectrometry Techniques and Applications (23)

Affiliations

Eötvös Loránd University
HU 2015 - 2015
University of Lethbridge
CA 2024 - 2024
Uppsala University
SE 2025 - 1998
Oak Ridge National Laboratory
US 2013 - 2013
Siirt Üniversitesi
TR 2020 - 2020

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