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Peter A. Kollman

University of California, San Francisco

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Publications

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Citations

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Impact (2-yr)

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Top Publications

Development and testing of a general amber force field

Journal of Computational Chemistry200419,029 citations

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Journal of the American Chemical Society199513,076 citations

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

The Journal of Physical Chemistry19937,965 citations

Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

Journal of Computational Chemistry19927,449 citationsCorresponding

THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

Journal of Computational Chemistry19926,790 citations

Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models

Accounts of Chemical Research20004,872 citationsFirst authorCorresponding

A new force field for molecular mechanical simulation of nucleic acids and proteins

Journal of the American Chemical Society19844,632 citations

A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations

Journal of Computational Chemistry20034,449 citations

How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?

Journal of Computational Chemistry20003,948 citationsCorresponding

An all atom force field for simulations of proteins and nucleic acids

Journal of Computational Chemistry19863,432 citations

An approach to computing electrostatic charges for molecules

Journal of Computational Chemistry19843,425 citationsCorresponding

Atomic charges derived from semiempirical methods

Journal of Computational Chemistry19903,300 citations

AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

Computer Physics Communications19953,114 citationsCorresponding

<scp>AMBER</scp>: Assisted model building with energy refinement. A general program for modeling molecules and their interactions

Journal of Computational Chemistry19811,166 citations

A combined <i>ab initio</i> quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH<sub>3</sub>Cl + Cl<sup>−</sup> exchange reaction and gas phase protonation of polyethers

Journal of Computational Chemistry19861,105 citations

Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins

Journal of Computational Chemistry19951,026 citationsCorresponding

Peter A. Kollman · Scinovex