James C. Gumbart
Molecular Biology · 2005–2014
A researcher in the Science corpus: 5 papers; trusts 10 researchers and is trusted by 1 researcher here, as inferred from the citation graph.
Subfields
- Molecular Biology — 49 citations into it; #16,107 of 17,773 by trust here, #2,612 by citations
- Atomic and Molecular Physics, and Optics — 38 citations into it
- Materials Chemistry — 22 citations into it; #10,159 of 11,513 by trust here, #2,723 by citations
- Statistical and Nonlinear Physics — 20 citations into it
- Spectroscopy — 7 citations into it
Whom James C. Gumbart trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
- Andrew Pohorille
- Charles H. Bennett
- Alexander D. MacKerell
- Eric F Darve
- Michael R. Shirts
- Y. Sugita
- Christopher Jarzynski
- Christophe Chipot
- James C. Phillips
- John D. Chodera
Who trusts James C. Gumbart overall
Papers from James C. Gumbart's perspective
Ordered by how strongly the researchers James C. Gumbart trusts endorse each paper. Same corpus, a different order for every researcher.
- Good practices in free-energy calculations. (Journal of Physical Chemistry B)
- Free energy calculation from steered molecular dynamics simulations using Jarzynski's equality
- Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters (International Conference on Software Composition)
- Calculating free energies using average force
- Equilibrium free-energy differences from nonequilibrium measurements: A master-equation approach
- Fast parallel algorithms for short-range molecular dynamics
- A smooth particle mesh Ewald method
- All-atom empirical potential for molecular modeling and dynamics studies of proteins.
- Multidimensional replica-exchange method for free-energy calculations
- Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
Their papers
- Scalable molecular dynamics with NAMD (2005) — 16,410 citations
- Standard binding free energies from computer simulations: What is the best strategy? (2012) — 316 citations
- The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask (2014) — 437 citations
- Thermodynamics of Deca-alanine Folding in Water (2014) — 48 citations
- Rapid parameterization of small molecules using the Force Field Toolkit (2013) — 479 citations