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Chemistry

D-Index
74
Citations
41459
World Ranking
4574
National Ranking
1441

Overview

Richard W. Pastor is affiliated with the National Institutes of Health in the United States. Their research primarily focuses on biochemistry, genetics, and molecular biology, with significant specialization in molecular biology.

Their work spans several subfields, including:

  • Molecular Biology
  • Atomic and Molecular Physics, and Optics
  • Epidemiology
  • Microbiology
  • Biomaterials

The main topics of their research include:

  • Lipid Membrane Structure and Behavior
  • Protein Structure and Dynamics
  • Spectroscopy and Quantum Chemical Studies
  • RNA and protein synthesis mechanisms
  • Antimicrobial Peptides and Activities
  • Influenza Virus Research Studies
  • Supramolecular Self-Assembly in Materials

Their recent publications reflect a focus on molecular simulations, lipid membranes, and peptide studies. Notable papers include:

  • "CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids" (2021), Journal of Chemical Theory and Computation
  • "Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion" (2021), Journal of Chemical Theory and Computation
  • "Membrane permeability of small molecules from unbiased molecular dynamics simulations" (2020), The Journal of Chemical Physics
  • "CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed" (2024), The Journal of Physical Chemistry B
  • "A dual apolipoprotein C-II mimetic-apolipoprotein C-III antagonist peptide lowers plasma triglycerides" (2020), Science Translational Medicine

Publication venues where Richard W. Pastor has frequently published include:

  • Biophysical Journal
  • The Journal of Physical Chemistry B
  • Journal of Chemical Theory and Computation
  • bioRxiv (Cold Spring Harbor Laboratory)
  • Proceedings of the National Academy of Sciences

Frequent coauthors in Pastor's research include:

  • Richard M. Venable
  • Amy Rice
  • Jeffery B. Klauda
  • Joshua Zimmerberg
  • Alexander D. MacKerell

Best Publications

  • CHARMM: the biomolecular simulation program.

    B. R. Brooks;C. L. Brooks;A. D. Mackerell;L. Nilsson

  • Constant pressure molecular dynamics simulation: The Langevin piston method

    Scott E. Feller;Yuhong Zhang;Richard W. Pastor;Bernard R. Brooks

  • Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

    Jeffery B. Klauda;Richard M. Venable;J. Alfredo Freites;Joseph W. O’Connor

  • Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamide

    Richard J. Loncharich;Bernard R. Brooks;Richard W. Pastor

  • Backbone dynamics of calmodulin studied by 15N relaxation using inverse detected two-dimensional NMR spectroscopy: the central helix is flexible.

    Gaetano Barbato;Mitsuhiko Ikura;Lewis E. Kay;Richard W. Pastor

  • An analysis of the accuracy of Langevin and molecular dynamics algorithms

    Richard W. Pastor;Bernard R. Brooks;Attila Szabo

  • Rotational Diffusion Anisotropy of Human Ubiquitin from 15N NMR Relaxation

    Nico Tjandra;Scott E. Feller;Richard W. Pastor;Ad Bax

  • CHARMM Additive All-Atom Force Field for Glycosidic Linkages between Hexopyranoses

    Olgun Guvench;Elizabeth R Hatcher;Richard M Venable;Richard W Pastor

  • Additive empirical force field for hexopyranose monosaccharides.

    Olgun Guvench;Shannon N. Greene;Ganesh Kamath;John W. Brady

  • Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy

    Hwankyu Lee;Richard M. Venable;Alexander D. MacKerell;Richard W. Pastor

  • A Coarse-Grained Model for Polyethylene Oxide and Polyethylene Glycol: Conformation and Hydrodynamics

    Hwankyu Lee;Alex H. de Vries;Siewert-Jan Marrink;Richard W. Pastor

  • Effect of Electrostatic Force Truncation on Interfacial and Transport Properties of Water

    Scott E. Feller;Richard W. Pastor;Atipat Rojnuckarin;Stephen Bogusz

  • Molecular dynamics simulations of a lipid bilayer and of hexadecane: an investigation of membrane fluidity

    Richard M. Venable;Yuhong Zhang;Barry J. Hardy;Richard W. Pastor

  • Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water

    Yuhong Zhang;Scott E. Feller;Bernard R. Brooks;Richard W. Pastor

  • Development of the CHARMM Force Field for Lipids

    R. W. Pastor;A. D. MacKerell;A. D. MacKerell

  • Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme.

    Matthias Buck;Sabine Bouguet-Bonnet;Richard W. Pastor;Alexander D. MacKerell

  • Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies.

    Scott E. Feller;Daxu Yin;Richard W. Pastor;Alexander D. MacKerell

  • Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities

    Scott E. Feller;Richard W. Pastor

  • Molecular Dynamics Simulations of Membrane Permeability.

    Richard M Venable;Andreas Krämer;Richard W Pastor

  • An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer.

    Jeffery B. Klauda;Bernard R. Brooks;Alexander D. Mackerell;Richard M. Venable

  • Mechanical properties of lipid bilayers from molecular dynamics simulation.

    Richard M. Venable;Frank L.H. Brown;Richard W. Pastor

Frequent Co-Authors

Richard M. Venable
Richard M. Venable National Institutes of Health
Bernard R. Brooks
Bernard R. Brooks National Institutes of Health
Wonpil Im
Wonpil Im Lehigh University
Jeffery B. Klauda
Jeffery B. Klauda University of Maryland, College Park
Alexander D. MacKerell
Alexander D. MacKerell University of Maryland, Baltimore
Olaf S. Andersen
Olaf S. Andersen Cornell University
Klaus Gawrisch
Klaus Gawrisch National Institutes of Health
Riqiang Fu
Riqiang Fu Florida State University
Benoît Roux
Benoît Roux University of Chicago
Martin Karplus
Martin Karplus Harvard University

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