Peter A. Kollman

139.2k total citations · 33 hit papers
458 papers, 116.3k citations indexed

About

Peter A. Kollman is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics and Spectroscopy. According to data from OpenAlex, Peter A. Kollman has authored 458 papers receiving a total of 116.3k indexed citations (citations by other indexed papers that have themselves been cited), including 262 papers in Molecular Biology, 129 papers in Atomic and Molecular Physics, and Optics and 95 papers in Spectroscopy. Recurrent topics in Peter A. Kollman's work include Protein Structure and Dynamics (149 papers), DNA and Nucleic Acid Chemistry (120 papers) and Spectroscopy and Quantum Chemical Studies (83 papers). Peter A. Kollman is often cited by papers focused on Protein Structure and Dynamics (149 papers), DNA and Nucleic Acid Chemistry (120 papers) and Spectroscopy and Quantum Chemical Studies (83 papers). Peter A. Kollman collaborates with scholars based in United States, Poland and Switzerland. Peter A. Kollman's co-authors include David A. Case, Piotr Cieplak, Junmei Wang, James W. Caldwell, Wendy D. Cornell, Christopher I. Bayly, Shuichi Miyamoto, Romain M. Wolf, U. Chandra Singh and Kenneth M. Merz and has published in prestigious journals such as Nature, Science and Chemical Reviews.

In The Last Decade

Peter A. Kollman

453 papers receiving 113.7k citations

Hit Papers

5 papers align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Development and testing of a general amber force field

2004 15.2k citations Junmei Wang, Romain M. Wolf et al. Journal of Computational Chemistry profile →
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1995 11.3k citations Wendy D. Cornell, Piotr Cieplak et al. profile →
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

1993 6.7k citations Christopher I. Bayly, Piotr Cieplak et al. profile →
Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

1992 6.1k citations Peter A. Kollman et al. Journal of Computational Chemistry profile →
THE weighted histogram analysis method for free‐energy calculations on biomolecules. I. The method

1992 5.6k citations Peter A. Kollman et al. Journal of Computational Chemistry profile →
Automatic atom type and bond type perception in molecular mechanical calculations

2006 4.4k citations Junmei Wang, Peter A. Kollman et al. profile →
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models

2000 4.0k citations Peter A. Kollman, Carolina Reyes et al. profile →
A new force field for molecular mechanical simulation of nucleic acids and proteins

1984 3.9k citations Peter A. Kollman, David A. Case et al. profile →
A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations

2003 3.9k citations Yong Duan, Chun Wu et al. Journal of Computational Chemistry profile →
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?

2000 3.5k citations Junmei Wang, Piotr Cieplak et al. Journal of Computational Chemistry profile →
An all atom force field for simulations of proteins and nucleic acids

1986 3.0k citations Peter A. Kollman, David A. Case et al. Journal of Computational Chemistry profile →
An approach to computing electrostatic charges for molecules

1984 3.0k citations U. Chandra Singh, Peter A. Kollman Journal of Computational Chemistry profile →
Atomic charges derived from semiempirical methods

1990 2.9k citations Peter A. Kollman et al. Journal of Computational Chemistry profile →
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

1995 2.7k citations David A. Pearlman, David A. Case et al. profile →
Free energy calculations: Applications to chemical and biochemical phenomena

1993 1.7k citations Peter A. Kollman profile →
Continuum Solvent Studies of the Stability of DNA, RNA, and Phosphoramidate−DNA Helices

1998 1.4k citations Jayashree Srinivasan, Thomas E. Cheatham et al. profile →
Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation

1993 1.2k citations Wendy D. Cornell, Piotr Cieplak et al. profile →
Pathways to a Protein Folding Intermediate Observed in a 1-Microsecond Simulation in Aqueous Solution

1998 1.1k citations Yong Duan, Peter A. Kollman profile →
AMBER: Assisted model building with energy refinement. A general program for modeling molecules and their interactions

1981 963 citations Peter A. Kollman et al. Journal of Computational Chemistry profile →
A combined ab initio quantum mechanical and molecular mechanical method for carrying out simulations on complex molecular systems: Applications to the CH₃Cl + Cl⁻ exchange reaction and gas phase protonation of polyethers

1986 931 citations U. Chandra Singh, Peter A. Kollman Journal of Computational Chemistry profile →
Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins

1995 885 citations Piotr Cieplak, Wendy D. Cornell et al. Journal of Computational Chemistry profile →
Combined molecular mechanical and continuum solvent approach (MM-PBSA/GBSA) to predict ligand binding

2000 849 citations Peter A. Kollman et al. profile →
A Modified Version of the Cornellet al.Force Field with Improved Sugar Pucker Phases and Helical Repeat

1999 839 citations Thomas E. Cheatham, Piotr Cieplak et al. Journal of Biomolecular Structure and Dynamics profile →
Molecular Dynamics Simulations on Solvated Biomolecular Systems: The Particle Mesh Ewald Method Leads to Stable Trajectories of DNA, RNA, and Proteins

1995 717 citations Thomas E. Cheatham, Jennifer L. Miller et al. profile →
Multidimensional free‐energy calculations using the weighted histogram analysis method

1995 712 citations Peter A. Kollman et al. Journal of Computational Chemistry profile →
Computational Alanine Scanning To Probe Protein−Protein Interactions: A Novel Approach To Evaluate Binding Free Energies

1999 660 citations Peter A. Kollman et al. profile →
The maximal affinity of ligands

1999 630 citations Irwin D. Kuntz, Peter A. Kollman et al. profile →
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 628 citations Junmei Wang, Peter A. Kollman et al. profile →
Theory of the hydrogen bond

1972 601 citations Peter A. Kollman et al. profile →
Application of the RESP Methodology in the Parametrization of Organic Solvents

1998 467 citations Peter A. Kollman et al. profile →
Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide

1995 455 citations James W. Caldwell, Peter A. Kollman profile →
Electrostatic recognition between superoxide and copper, zinc superoxide dismutase

1983 447 citations Peter A. Kollman et al. profile →
On Low-Barrier Hydrogen Bonds and Enzyme Catalysis

1995 277 citations Peter A. Kollman et al. profile →

Peers

Countries citing papers authored by Peter A. Kollman

Since Specialization

Citations

This map shows the geographic impact of Peter A. Kollman's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Peter A. Kollman with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Peter A. Kollman more than expected).

Fields of papers citing papers by Peter A. Kollman

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Peter A. Kollman. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Peter A. Kollman. The network helps show where Peter A. Kollman may publish in the future.

Co-authorship network of co-authors of Peter A. Kollman

This figure shows the co-authorship network connecting the top 25 collaborators of Peter A. Kollman. A scholar is included among the top collaborators of Peter A. Kollman based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Peter A. Kollman. Peter A. Kollman is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

#	Work	Indexed citations
1	Development and testing of a general amber force field breakdown → 2004 ·Journal of Computational Chemistry ·Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, David A. Case	15210
2	A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations breakdown → 2003 ·Journal of Computational Chemistry ·Yong Duan, Chun Wu, Shibasish Chowdhury, (unknown), Guoming Xiong, Wei Zhang, Rong Yang, Piotr Cieplak, Ray Luo, Tai‐Sung Lee, James W. Caldwell, Junmei Wang, Peter A. Kollman	3867
3	Molecular Dynamics Study of the Energetic, Mechanistic, and Structural Implications of a Closed Phosphate Tube in ncd 2001 ·Biophysical Journal ·(unknown), Roger Cooke, Edward Pate, Peter A. Kollman	30
4	Computed Free energy differences between point mutations in a collagen-like peptide 2001 ·Biopolymers ·Sean D. Mooney, Conrad C. Huang, Peter A. Kollman, Teri E. Klein	32
5	Flexible ligand docking: A multistep strategy approach 1999 ·Proteins Structure Function and Bioinformatics ·Jian Wang, Peter A. Kollman, Irwin D. Kuntz	1
6	Flexible ligand docking: A multistep strategy approach 1999 ·Proteins Structure Function and Bioinformatics ·Jian Wang, Peter A. Kollman, Irwin D. Kuntz	117
7	Molecular dynamics studies of U1A-RNA complexes 1999 ·RNA ·Carolina Reyes, Peter A. Kollman	37
8	Hydrogen bonding 1999 ·Current Biology ·Peter A. Kollman	5
9	A Modified Version of the Cornellet al.Force Field with Improved Sugar Pucker Phases and Helical Repeat breakdown → 1999 ·Journal of Biomolecular Structure and Dynamics ·Thomas E. Cheatham, Piotr Cieplak, Peter A. Kollman	839
10	Continuum Solvent Studies of the Stability of RNA Hairpin Loops and Helices 1998 ·Journal of Biomolecular Structure and Dynamics ·Jayashree Srinivasan, Jennifer L. Miller, Peter A. Kollman, David A. Case	201
11	The application of three approximate free energy calculations methods to structure based ligand design: Trypsin and its complex with inhibitors 1998 ·Journal of Computer-Aided Molecular Design ·Randall J. Radmer, Peter A. Kollman	39
12	Understanding the thermodynamic stability of an RNA hairpin and its mutant 1996 ·Biophysical Journal ·Suresh B. Singh, Peter A. Kollman	14
13	Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins breakdown → 1995 ·Journal of Computational Chemistry ·Piotr Cieplak, Wendy D. Cornell, Christopher I. Bayly, Peter A. Kollman	885
14	A negative electrostatic determinant mediates the association between the Escherichia coli trp repressor and its operator DNA 1994 ·Protein Science ·Jeanmarie Guenot, (unknown), Peter A. Kollman	17
15	Application of molecular dynamics and free energy perturbation methods to metalloporphyrin‐ligand systems ii: Co and dioxygen binding to myoglobin 1993 ·Protein Science ·(unknown), Peter A. Kollman	15
16	Relative binding free energy calculations of inhibitors to two mutants (Glu46— Ala/Gln) of ribonuclease T1 using molecular dynamics/free energy perturbation approaches 1991 ·Protein Engineering Design and Selection ·Shuichi Hirono, Peter A. Kollman	12
17	Prediction of homologous protein structures based on conformational searches and energetics 1990 ·Proteins Structure Function and Bioinformatics ·Celia A. Schiffer, James W. Caldwell, Peter A. Kollman, Robert M. Stroud	37
18	The calculated free energy effects of 5‐methyl cytosine on the B to Z transition in DNA 1990 ·Biopolymers ·David A. Pearlman, Peter A. Kollman	24
19	A Combined 2D-NMR and Molecular Dynamics Analysis of the Structure of the Actinomycin D: d(ATGCAT)₂Complex 1989 ·Journal of Biomolecular Structure and Dynamics ·S. Creighton, (unknown), Terry P. Lybrand, U. Chandra Singh, Richard Shafer, Stephen Brown, Peter A. Kollman, David A. Case, Tariq A. Andrea	18
20	On loopfolding in nucleic acid hairpin-type structures²⁹ 1986 ·Journal of Biomolecular Structure and Dynamics ·C. A. G. Haasnoot, Cornelis W. Hilbers, G. A. VAN DER MAREL, Jacques H. van Boom, U. Chandra Singh, Nagarajan Pattabiraman, Peter A. Kollman	135

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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