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Chemistry

D-Index
83
Citations
64303
World Ranking
2886
National Ranking
982

Overview

Bernard R. Brooks is affiliated with the National Institutes of Health in the United States. Their research primarily focuses on the field of Biochemistry, Genetics and Molecular Biology, with a significant contribution to Molecular Biology.

Their work spans various subfields including:

  • Molecular Biology
  • Atomic and Molecular Physics, and Optics
  • Materials Chemistry
  • Computational Theory and Mathematics
  • Spectroscopy

The main topics that characterize their scientific output include:

  • Protein Structure and Dynamics
  • Computational Drug Discovery Methods
  • Spectroscopy and Quantum Chemical Studies
  • Machine Learning in Materials Science
  • Lipid Membrane Structure and Behavior
  • Mass Spectrometry Techniques and Applications
  • SARS-CoV-2 and COVID-19 Research

Brooks's publication record includes contributions to several frequent venues such as:

  • Biophysical Journal
  • The Journal of Chemical Physics
  • Journal of Chemical Theory and Computation
  • bioRxiv (Cold Spring Harbor Laboratory)
  • Journal of Computer-Aided Molecular Design

They have contributed to research papers including the following recent works:

  • "P SI4 1.4: Open-source software for high-throughput quantum chemistry" (2020) published in The Journal of Chemical Physics
  • "CHARMM-GUI Nanomaterial Modeler for Modeling and Simulation of Nanomaterial Systems" (2021) published in Journal of Chemical Theory and Computation
  • "CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids" (2021) published in Journal of Chemical Theory and Computation
  • "A protocol for preparing explicitly solvated systems for stable molecular dynamics simulations" (2020) published in The Journal of Chemical Physics
  • "A compression strategy for particle mesh Ewald theory" (2021) published in The Journal of Chemical Physics

Frequent collaborators in their research include:

  • Jeffery B. Klauda
  • Mahdi Ghorbani
  • Samarjeet Prasad
  • Andrew C. Simmonett
  • Ada Y. Chen

Best Publications

  • CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

    Bernard R. Brooks;Robert E. Bruccoleri;Barry D. Olafson;David J. States

  • 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

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • OpenMM 7: Rapid development of high performance algorithms for molecular dynamics.

    Peter Eastman;Jason Swails;John D. Chodera;Robert T. McGibbon

  • New spherical-cutoff methods for long-range forces in macromolecular simulation

    Peter J. Steinbach;Bernard R. Brooks

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

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

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

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

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

  • Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor.

    Bernard Brooks;Martin Karplus

  • Psi4 1.4: Open-source software for high-throughput quantum chemistry

    Daniel G. A. Smith;Lori A. Burns;Andrew C. Simmonett;Robert M. Parrish

  • CHARMM: The Energy Function and Its Parameterization

    Alexander D. MacKerell;Bernard Brooks;Charles L. Brooks;Lennart Nilsson

  • Solvent-Induced Forces between Two Hydrophilic Groups

    Stewart R. Durell;Bernard R. Brooks;Arieh Ben-Naim

  • Harmonic analysis of large systems. I. Methodology

    Bernard R. Brooks;Dusanka Janezic;Martin Karplus

  • Self-guided Langevin dynamics simulation method

    Xiongwu Wu;Bernard R. Brooks

  • Normal modes for specific motions of macromolecules: application to the hinge-bending mode of lysozyme

    Bernard Brooks;Martin Karplus

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

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

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

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

  • Interactions between Hydrophobic and Ionic Solutes in Aqueous Guanidinium Chloride and Urea Solutions: Lessons for Protein Denaturation Mechanism

    Edward P. O'Brien;Ruxandra I. Dima;Bernard Brooks;D. Thirumalai;D. Thirumalai

  • The graphical unitary group approach to the electron correlation problem. Methods and preliminary applications

    Bernard R. Brooks;Henry F. Schaefer

  • A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation

    Fenglai Liu;Zhengting Gan;Yihan Shao;Chao-Ping Hsu

Frequent Co-Authors

Richard W. Pastor
Richard W. Pastor National Institutes of Health
Jeffery B. Klauda
Jeffery B. Klauda University of Maryland, College Park
Yihan Shao
Yihan Shao University of Oklahoma
Richard M. Venable
Richard M. Venable National Institutes of Health
Martin Karplus
Martin Karplus Harvard University
Michel Waroquier
Michel Waroquier Ghent University
Henry F. Schaefer
Henry F. Schaefer University of Georgia
D. Thirumalai
D. Thirumalai The University of Texas at Austin
Alexander D. MacKerell
Alexander D. MacKerell University of Maryland, Baltimore

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