Peter A. Kollman

Molecular Biology · 1984–2006

A researcher in the Science corpus: 12 papers; trusts 1 researcher and is trusted by 35 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 10 citations into it; #1,498 of 17,773 by trust here, #1,296 by citations

Whom Peter A. Kollman trusts overall

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

1. Charles H. Bennett

Who trusts Peter A. Kollman overall

1. Holger Gohlke
2. Junmei Wang
3. David A. Case
4. Hernán Alonso
5. Wei Wang
6. Shengyou Huang
7. Alexander D. MacKerell
8. David L. Mobley
9. Christina Kiel
10. Samuel Genheden

Papers from Peter A. Kollman's perspective

Ordered by how strongly the researchers Peter A. Kollman trusts endorse each paper. Same corpus, a different order for every researcher.

1. All-atom empirical potential for molecular modeling and dynamics studies of proteins.
2. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197
3. A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions
4. Efficient estimation of free energy differences from Monte Carlo data
5. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.
6. The Amber biomolecular simulation programs
7. Extension of the CHARMM General Force Field to Sulfonyl-Containing Compounds and Its Utility in Biomolecular Simulations (Journal of Computational Chemistry)
8. Emergence of Scaling in Random Networks
9. OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation (Journal of Chemical Theory and Computation)
10. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Their papers

• A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations (2003) — 4,215 citations
• How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? (2000) — 3,452 citations
• Development and testing of a general amber force field (2004) — 17,585 citations
• Automatic atom type and bond type perception in molecular mechanical calculations. (2006) — 5,066 citations
• Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSA. (2001) — 685 citations
• Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models. (2000) — 4,533 citations
• Combined molecular mechanical and continuum solvent approach (MM-PBSA/GBSA) to predict ligand binding (2000) — 878 citations
• Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions. (2001) — 521 citations
• A Ligand That Is Predicted to Bind Better to Avidin than Biotin: Insights from Computational Fluorine Scanning (2000) — 108 citations
• The early stage of folding of villin headpiece subdomain observed in a 200-nanosecond fully solvated molecular dynamics simulation. (1998)
• A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197 (1996)
• A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS (1984)