W. V. van Gunsteren

Molecular Biology · 1997–2014

A researcher in the Science corpus: 13 papers; trusts 9 researchers and is trusted by 22 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 89 citations into it; #1,791 of 17,773 by trust here, #3,681 by citations
• Atomic and Molecular Physics, and Optics — 53 citations into it; #619 of 7,135 by trust here, #968 by citations
• Organic Chemistry — 13 citations into it
• Physical and Theoretical Chemistry — 13 citations into it; #172 of 671 by trust here, #82 by citations
• Computational Biology & Bioinformatics — 8 citations into it

Whom W. V. van Gunsteren trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. W. L. Jorgensen
2. Chris Oostenbrink
3. Alexander D. MacKerell
4. Michael R. Shirts
5. Alan E. Mark
6. Junmei Wang

Who trusts W. V. van Gunsteren overall

1. Nathan Schmid
2. Justin A. Lemkul
3. David L. Mobley
4. A. W. Sousa da Silva
5. Chris Oostenbrink
6. Alexander D. MacKerell
7. Paul Robustelli
8. Andreas P. Eichenberger
9. Niels Hansen
10. Freddie R. Salsbury Jr.

Papers from W. V. van Gunsteren's perspective

Ordered by how strongly the researchers W. V. van Gunsteren trusts endorse each paper. Same corpus, a different order for every researcher.

1. Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
2. Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features
3. A standard reference frame for the description of nucleic acid base-pair geometry. (Journal of Molecular Biology)
4. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes
5. VMD: visual molecular dynamics.
6. CHARMM: The biomolecular simulation program
7. Scalable Algorithms for Molecular Dynamics Simulations on Commodity Clusters (International Conference on Software Composition)
8. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
9. Scalable molecular dynamics with NAMD
10. The Amber biomolecular simulation programs

Their papers

• An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase (2001) — 847 citations
• A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6 (2004) — 3,524 citations
• A fast SHAKE algorithm to solve distance constraint equations for small molecules in molecular dynamics simulations (2001) — 1,151 citations
• The GROMOS software for biomolecular simulation: GROMOS05 (2005) — 622 citations
• Basic ingredients of free energy calculations: A review (2009) — 376 citations
• A new force field for simulating phosphatidylcholine bilayers (2010) — 332 citations
• Practical Aspects of Free-Energy Calculations: A Review. (2014) — 364 citations
• Validation of the 53A6 GROMOS force field (2005) — 468 citations
• Comparison of four methods to compute the dielectric permittivity of liquids from molecular dynamics simulations (2001) — 328 citations
• Biomolecular modeling: Goals, problems, perspectives. (2006) — 543 citations
• Molecular dynamics simulations. (2002) — 587 citations
• Absolute entropies from molecular dynamics simulation trajectories (2000) — 157 citations
• Computer Simulation of Biomolecular Systems (1997)