Jochen S. Hub - Researcher Profile | RDL Research Database

Publications

3 shown

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

Jochen S. Hub , Bert L. de Groot , David van der Spoel

The Weighted Histogram Analysis Method (WHAM) is a standard technique used to compute potentials of mean force (PMFs) from a set of umbrella sampling simulations. Here, we prese...

2010 Journal of Chemical Theory and Comput... 1629 citations

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

Carl Caleman , Paul J. van Maaren , Minyan Hong +3 more

The chemical composition of small organic molecules is often very similar to amino acid side chains or the bases in nucleic acids, and hence there is no a priori reason why a mo...

2011 Journal of Chemical Theory and Comput... 736 citations

Validating Solution Ensembles from Molecular Dynamics Simulation by Wide-Angle X-ray Scattering Data

Po‐Chia Chen , Jochen S. Hub

2014 Biophysical Journal 160 citations

Frequent Co-Authors

Researcher Info

h-index: 3
Publications: 3
Citations: 2,525
Institution: Max Planck Institute for Biophysical Chemistry

External Links

ORCID Profile Google Scholar

Identifiers

ORCID: 0000-0001-7716-1767

Impact Metrics

h-index 3

h-index: Number of publications with at least h citations each.