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D-Index & Metrics

Chemistry

D-Index
88
Citations
60928
World Ranking
2231
National Ranking
800

Research.com Recognitions

  • 1999 - Fellow of the American Association for the Advancement of Science (AAAS)

Overview

Kenneth M. Merz is affiliated with Michigan State University in the United States. Their research contributions span numerous areas within chemical and computational sciences, marked by extensive publication and collaboration.

The scientist has published research in various fields and subfields including History and Philosophy of Science, Molecular Biology, Computational Theory and Mathematics, Spectroscopy, and Materials Chemistry.

The main topics in their work comprise Academic Writing and Publishing, Computational Drug Discovery Methods, Protein Structure and Dynamics, Machine Learning in Materials Science, Spectroscopy and Quantum Chemical Studies, Mass Spectrometry Techniques and Applications, and Metabolomics and Mass Spectrometry Studies.

Among their recent papers are:

  • AmberTools, 2023, Journal of Chemical Information and Modeling
  • Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models, 2021, Journal of Chemical Information and Modeling
  • A critical overview of computational approaches employed for COVID-19 drug discovery, 2021, Chemical Society Reviews
  • Systematic Parametrization of Divalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models, 2020, Journal of Chemical Theory and Computation
  • Evolution of Alchemical Free Energy Methods in Drug Discovery, 2020, Journal of Chemical Information and Modeling

Frequent co-authors collaborating with Kenneth M. Merz include:

  • William L. Jorgensen
  • Cynthia J. Burrows
  • Shu Wang
  • Hyun Jae Kim
  • Gerald J. Meyer

They have published extensively in several prominent scientific venues. The frequent publication venues include:

  • Journal of Chemical Information and Modeling
  • Journal of Chemical Theory and Computation
  • arXiv (Cornell University)
  • Journal of the American Society for Mass Spectrometry
  • Chemical Reviews

Kenneth M. Merz has contributed to book publications, including a title published by the American Chemical Society:

  • Python for Chemists, 2021

In recognition of their work, they were named a Fellow of the American Association for the Advancement of Science (AAAS) in 1999.

Best Publications

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

    Wendy D. Cornell;Piotr Cieplak;Piotr Cieplak;Christopher I. Bayly;Christopher I. Bayly;Ian R. Gould;Ian R. Gould

  • The Amber biomolecular simulation programs

    David A. Case;Thomas E. Cheatham;Tom Darden;Holger Gohlke

  • Atomic charges derived from semiempirical methods

    B. H. Besler;K. M. Merz;P. A. Kollman

  • Prediction of drug absorption using multivariate statistics.

    William J. Egan;Kenneth M. Merz;John J. Baldwin

  • AmberTools

    Unknown

  • The Protein Folding Problem and Tertiary Structure Prediction

    Kenneth M. Merz;Scott M. Le Grand

  • Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent.

    Pengfei Li;Benjamin P. Roberts;Dhruva K. Chakravorty;Kenneth M. Merz

  • MCPB.py: A Python Based Metal Center Parameter Builder

    Pengfei Li;Kenneth M. Merz

  • Assessment of the “6-31+G** + LANL2DZ” Mixed Basis Set Coupled with Density Functional Theory Methods and the Effective Core Potential: Prediction of Heats of Formation and Ionization Potentials for First-Row-Transition-Metal Complexes

    Yue Yang;Michael N. Weaver;Kenneth M. Merz

  • Structural Survey of Zinc Containing Proteins and the Development of the Zinc AMBER Force Field (ZAFF)

    Martin B. Peters;Yue Yang;Bing Wang;László Füsti-Molnár

  • A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules J. Am. Chem. Soc. 1995, 117, 5179−5197

    Wendy D. Cornell;Piotr Cieplak;Christopher I. Bayly;Ian R. Gould

  • Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model.

    Pengfei Li;Lin Frank Song;Kenneth M. Merz

  • Taking into Account the Ion-Induced Dipole Interaction in the Nonbonded Model of Ions

    Pengfei Li;Kenneth M. Merz

  • Combined Quantum Mechanical/Molecular Mechanical Methodologies Applied to Biomolecular Systems

    Gerald Monard;Kenneth M. Merz

  • High throughput docking for library design and library prioritization

    David J. Diller;Kenneth M. Merz

  • Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties

    Kevin E. Riley;Bryan T. Op't Holt;Kenneth M. Merz

  • Metal Ion Modeling Using Classical Mechanics

    Pengfei Li;Kenneth M. Merz

  • Parameterization of Highly Charged Metal Ions Using the 12-6-4 LJ-Type Nonbonded Model in Explicit Water

    Pengfei Li;Lin Frank Song;Kenneth M. Merz

  • d10-d10 Interactions: multinuclear copper(I) complexes

    Kenneth M. Merz;Roald Hoffmann

  • Force Field Design for Metalloproteins

    Stephen C. Hoops;Kenneth W. Anderson;Kenneth M. Merz

  • Semiempirical molecular orbital calculations with linear system size scaling

    Steven L. Dixon;Kenneth M. Merz

Frequent Co-Authors

Gunda I. Georg
Gunda I. Georg University of Minnesota
Dennis C. Liotta
Dennis C. Liotta Emory University
Alanna Schepartz
Alanna Schepartz University of California, Berkeley
Craig W. Lindsley
Craig W. Lindsley Vanderbilt University
Carolyn R. Bertozzi
Carolyn R. Bertozzi Stanford University
Prashant V. Kamat
Prashant V. Kamat University of Notre Dame
Marc A. Hillmyer
Marc A. Hillmyer University of Minnesota
Vincent M. Rotello
Vincent M. Rotello University of Massachusetts Amherst
Gregory D. Scholes
Gregory D. Scholes Princeton University

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