Kenneth M. Merz

53.4k total citations · 8 hit papers
374 papers, 41.5k citations indexed

About

Kenneth M. Merz is a scholar working on Molecular Biology, Atomic and Molecular Physics, and Optics and Materials Chemistry. According to data from OpenAlex, Kenneth M. Merz has authored 374 papers receiving a total of 41.5k indexed citations (citations by other indexed papers that have themselves been cited), including 187 papers in Molecular Biology, 116 papers in Atomic and Molecular Physics, and Optics and 102 papers in Materials Chemistry. Recurrent topics in Kenneth M. Merz's work include Protein Structure and Dynamics (113 papers), Computational Drug Discovery Methods (64 papers) and Spectroscopy and Quantum Chemical Studies (59 papers). Kenneth M. Merz is often cited by papers focused on Protein Structure and Dynamics (113 papers), Computational Drug Discovery Methods (64 papers) and Spectroscopy and Quantum Chemical Studies (59 papers). Kenneth M. Merz collaborates with scholars based in United States, Italy and Spain. Kenneth M. Merz's co-authors include Peter A. Kollman, Wendy D. Cornell, Christopher I. Bayly, Ian R. Gould, David C. Spellmeyer, Thomas Fox, David M. Ferguson, Piotr Cieplak, James W. Caldwell and Pengfei Li and has published in prestigious journals such as Chemical Reviews, Proceedings of the National Academy of Sciences and Journal of the American Chemical Society.

In The Last Decade

Kenneth M. Merz

368 papers receiving 40.6k citations

Hit Papers

A Second Generation Force... 1990 2026 2002 2014 1995 2005 1990 2000 2013 2.5k 5.0k 7.5k 10.0k
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.

  1. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
    1995 11.3k citations Kenneth M. Merz et al. Journal of the American Chemical Society profile →
  2. The Amber biomolecular simulation programs
    2005 7.5k citations Kenneth M. Merz et al. profile →
  3. Atomic charges derived from semiempirical methods
    1990 2.9k citations Kenneth M. Merz et al. profile →
  4. Prediction of Drug Absorption Using Multivariate Statistics
    2000 1.4k citations William J. Egan, Kenneth M. Merz et al. Journal of Medicinal Chemistry profile →
  5. Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent
    2013 604 citations Pengfei Li, Kenneth M. Merz et al. Journal of Chemical Theory and Computation profile →
  6. MCPB.py: A Python Based Metal Center Parameter Builder
    2016 522 citations Pengfei Li, Kenneth M. Merz Journal of Chemical Information and Modeling profile →
  7. Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model
    2015 348 citations Pengfei Li, Lin Frank Song et al. Journal of Chemical Theory and Computation profile →
  8. Metal Ion Modeling Using Classical Mechanics
    2017 292 citations Pengfei Li, Kenneth M. Merz Chemical Reviews profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
Kenneth M. Merz United States 73 23.0k 8.7k 8.0k 6.7k 5.0k 374 41.5k
Piotr Cieplak United States 46 26.4k 1.1× 7.3k 0.8× 6.7k 0.8× 4.8k 0.7× 3.9k 0.8× 126 41.0k
Barry Honig United States 108 37.5k 1.6× 9.0k 1.0× 6.9k 0.9× 3.9k 0.6× 3.8k 0.8× 347 51.3k
Jeffry D. Madura United States 37 24.2k 1.0× 8.3k 1.0× 9.7k 1.2× 4.6k 0.7× 3.0k 0.6× 127 43.4k
Andrew Dalke United States 9 26.7k 1.2× 13.0k 1.5× 5.1k 0.6× 7.5k 1.1× 3.0k 0.6× 13 56.0k
Lee G. Pedersen United States 43 29.2k 1.3× 8.7k 1.0× 7.8k 1.0× 5.7k 0.8× 3.4k 0.7× 222 50.5k
Tom Darden United States 28 33.8k 1.5× 9.7k 1.1× 8.1k 1.0× 5.8k 0.9× 4.4k 0.9× 49 55.7k
James W. Caldwell United States 22 21.0k 0.9× 7.3k 0.8× 6.2k 0.8× 4.7k 0.7× 3.7k 0.7× 33 36.1k
David van der Spoel Sweden 57 31.8k 1.4× 12.3k 1.4× 10.4k 1.3× 6.9k 1.0× 4.3k 0.9× 168 61.7k
Jerzy Leszczyński United States 83 9.8k 0.4× 8.8k 1.0× 8.0k 1.0× 8.3k 1.2× 3.4k 0.7× 1.1k 32.3k
Jayaraman Chandrasekhar India 44 21.9k 1.0× 9.2k 1.1× 11.8k 1.5× 9.1k 1.4× 2.6k 0.5× 181 47.2k

Countries citing papers authored by Kenneth M. Merz

Since Specialization
Citations

This map shows the geographic impact of Kenneth M. Merz'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 Kenneth M. Merz with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Kenneth M. Merz more than expected).

Fields of papers citing papers by Kenneth M. Merz

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Kenneth M. Merz. 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 Kenneth M. Merz. The network helps show where Kenneth M. Merz may publish in the future.

Co-authorship network of co-authors of Kenneth M. Merz

This figure shows the co-authorship network connecting the top 25 collaborators of Kenneth M. Merz. A scholar is included among the top collaborators of Kenneth M. Merz 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 Kenneth M. Merz. Kenneth M. Merz is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Das, Susanta & Kenneth M. Merz. (2025). Exploring the Frontiers of Computational NMR: Methods, Applications, and Challenges. Chemical Reviews. 125(19). 9256–9295. 1 indexed citations
2.
Jafari, Majid, et al.. (2025). Ion-Induced Dipole Interactions Matter in Metadynamics Simulation of Transition Metal Ion Transporters. Journal of Chemical Theory and Computation. 21(8). 4221–4235.
3.
Benedetti, L., et al.. (2025). Simulating Metal Complex Formation and Ligand Exchange: Unraveling the Interplay between Entropy, Kinetics, and Mechanisms on the Chelate Effect. Journal of Chemical Theory and Computation. 21(18). 8950–8962.
4.
Wang, Mingzhan, Xinan Yue, Gangbin Yan, et al.. (2025). Cooperative and inhibitory ion transport in functionalized angstrom-scale two-dimensional channels. Nature Communications. 16(1). 5854–5854. 1 indexed citations
5.
Merz, Kenneth M., et al.. (2025). In Silico Characterization of Glycan Ions from IM-MS Collision Cross Section. Journal of the American Society for Mass Spectrometry. 36(3). 504–513. 2 indexed citations
6.
Jin, H.-Q. & Kenneth M. Merz. (2024). Partial to Total Generation of 3D Transition-Metal Complexes. Journal of Chemical Theory and Computation. 4 indexed citations
7.
Tao, Yujun, Timothy J. Giese, Şölen Ekesan, et al.. (2024). Amber free energy tools: Interoperable software for free energy simulations using generalized quantum mechanical/molecular mechanical and machine learning potentials. The Journal of Chemical Physics. 160(22). 10 indexed citations
8.
Jafari, Majid, et al.. (2024). Molecular insights into substrate translocation in an elevator-type metal transporter. Nature Communications. 15(1). 9665–9665. 4 indexed citations
9.
Sengupta, Arkajyoti, Zhen Li, Lin Frank Song, Pengfei Li, & Kenneth M. Merz. (2021). Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models. Journal of Chemical Information and Modeling. 61(2). 869–880. 155 indexed citations
10.
Mazzolari, Angelica, Ariane Nunes‐Alves, Habibah A. Wahab, et al.. (2020). Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry. Journal of Chemical Information and Modeling. 60(7). 3328–3330. 2 indexed citations
11.
Tsai, Hsu‐Chun, Yujun Tao, Tai‐Sung Lee, Kenneth M. Merz, & Darrin M. York. (2020). Validation of Free Energy Methods in AMBER. Journal of Chemical Information and Modeling. 60(11). 5296–5300. 22 indexed citations
12.
Zheng, Zheng, et al.. (2018). Generation of Pairwise Potentials Using Multidimensional Data Mining. Journal of Chemical Theory and Computation. 14(10). 5045–5067. 10 indexed citations
13.
Zheng, Zheng, et al.. (2018). The Role of the Active Site Flap in Streptavidin/Biotin Complex Formation. Journal of the American Chemical Society. 140(16). 5434–5446. 14 indexed citations
14.
Li, Pengfei & Kenneth M. Merz. (2016). MCPB.py: A Python Based Metal Center Parameter Builder. Journal of Chemical Information and Modeling. 56(4). 599–604. 522 indexed citations breakdown →
15.
Borbulevych, Oleg Y., Joshua A. Plumley, Roger I. Martin, Kenneth M. Merz, & Lance M. Westerhoff. (2014). Accurate macromolecular crystallographic refinement: incorporation of the linear scaling, semiempirical quantum-mechanics programDivConinto thePHENIXrefinement package. Acta Crystallographica Section D Biological Crystallography. 70(5). 1233–1247. 42 indexed citations
16.
Cheng, Ailan, et al.. (2000). GB/SA water model for the Merck molecular force field (MMFF). Journal of Molecular Graphics and Modelling. 18(3). 273–282. 59 indexed citations
17.
Egan, William J., Kenneth M. Merz, & John J. Baldwin. (2000). Prediction of Drug Absorption Using Multivariate Statistics. Journal of Medicinal Chemistry. 43(21). 3867–3877. 1422 indexed citations breakdown →
18.
Toba, Samuel, Komath Damodaran, & Kenneth M. Merz. (1999). Binding Preferences of Hydroxamate Inhibitors of the Matrix Metalloproteinase Human Fibroblast Collagenase. Journal of Medicinal Chemistry. 42(7). 1225–1234. 38 indexed citations
19.
Merz, Kenneth M. & Benoı̂t Roux. (1996). Biological membranes : a molecular perspective from computation and experiment. Birkhäuser Boston eBooks. 275 indexed citations
20.
Dewar, Michael J. S., Gilbert L. Grady, Kenneth M. Merz, & James J. P. Stewart. (1985). MNDO calculations for compounds containing mercury. Organometallics. 4(11). 1964–1966. 37 indexed citations

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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