Concepedia

Conformational Sampling

Conformational Sampling is a computational strategy in biomolecular modeling that systematically explores the ensemble of three-dimensional structural states accessible to a biomolecule to characterize its dynamic behavior and energetically favorable conformations.

4.2K

Publications

273.1K

Citations

11.5K

Authors

2.3K

Institutions

Publications per year

2017–2026

1K

Parents

Children

Publications

4.2K

Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

Richard A. Friesner, Jay L. Banks, Robert B. Murphy et al. · Journal of Medicinal Chemistry · 2004 · 9.9K citations

, , +17

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M. Breneman, Kenneth B. Wiberg · Journal of Computational Chemistry · 1990 · 4.8K citations

, , +17

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ<sub>1</sub> and χ<sub>2</sub> Dihedral Angles

Robert B. Best, Xiao Zhu, Jihyun Shim et al. · Journal of Chemical Theory and Computation · 2012 · 4.8K citations

, , +17

The Energy Landscapes and Motions of Proteins

Hans Frauenfelder, Stephen G. Sligar, Peter G. Wolynes · Science · 1991 · 3.2K citations

, , +17

MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories

Robert T. McGibbon, Kyle A. Beauchamp, Matthew P. Harrigan et al. · Biophysical Journal · 2015 · 2.6K citations · Full text

, , +9

1–5 of 4.2K

Authors

11.5K

  1. JA
    J. Andrew McCammon

    University of California San Diego, United States

    52 publications · 7K citations

    41

    h-index

  2. MB
    Martin Blackledge

    Institut de Biologie Structurale, France

    31 publications · 5.2K citations

    27

    h-index

  3. CL
    Charles L. Brooks

    University of Michigan, United States

    32 publications · 1.7K citations

    24

    h-index

  4. DB
    David Baker

    University of Washington, United States

    25 publications · 5.6K citations

    23

    h-index

  5. JH
    Junichi Higo

    The University of Osaka, Japan

    31 publications · 1.2K citations

    21

    h-index

1–5 of 11.5K

Institutions

2.3K

  1. Centre National de la Recherche Scientifique

    Paris, France

    59 h-index

    663 publications

    52.9K citations

  2. Howard Hughes Medical Institute

    Chevy Chase, United States

    44 h-index

    165 publications

    23.2K citations

  3. University of California San Diego

    San Diego, United States

    42 h-index

    200 publications

    19.9K citations

  4. University of California, San Francisco

    San Francisco, United States

    39 h-index

    184 publications

    18.2K citations

  5. ETH Zurich

    Zurich, Switzerland

    37 h-index

    202 publications

    24K citations

  6. University of Cambridge

    Cambridge, United Kingdom

    36 h-index

    161 publications

    19.7K citations

  7. Columbia University

    New York, United States

    35 h-index

    145 publications

    147.5K citations

  8. Stanford University

    Stanford, United States

    35 h-index

    168 publications

    23.4K citations

1–8 of 2.3K

Venues

  1. Journal of the American Chemical Society

    JACS · 161 publications · 15.4K citations

    67

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 285 publications · 24K citations

    67

    h-index

  3. Proteins Structure Function and Bioinformatics

    189 publications · 14.9K citations

    61

    h-index

  4. The Journal of Physical Chemistry B

    244 publications · 15.2K citations

    61

    h-index

  5. Proceedings of the National Academy of Sciences

    PNAS · 100 publications · 13.7K citations

    61

    h-index

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