Concepedia

Protein Flexibility Modeling

Protein Flexibility Modeling is a computational methodology within molecular docking informatics that specifically accounts for the conformational dynamics of protein structures to more accurately predict ligand-binding interactions during virtual screening.

309

Publications

21.8K

Citations

1.1K

Authors

467

Institutions

Publications per year

2017–2026

75

Parents

Publications

309

Detailed analysis of grid‐based molecular docking: A case study of CDOCKER—A CHARMm‐based MD docking algorithm

Guosheng Wu, D. H. Robertson, Charles L. Brooks et al. · Journal of Computational Chemistry · 2003 · 1.6K citations

, , +16

ROSETTALIGAND: Protein–small molecule docking with full side‐chain flexibility

Jens Meiler, David Baker · Proteins Structure Function and Bioinformatics · 2006 · 517 citations

, , +17

A Simple Method To Predict Protein Flexibility Using Secondary Chemical Shifts

Mark Berjanskii, David S. Wishart · Journal of the American Chemical Society · 2005 · 447 citations

, , +13

Structure and flexibility within proteins as identified through small angle X-ray scattering

Martin Pelikán, Greg L. Hura, Michal Hammel · General Physiology and Biophysics · 2009 · 441 citations · Full text

, , +17

CABS-dock web server for the flexible docking of peptides to proteins without prior knowledge of the binding site

Mateusz Kurciński, Maciej Błaszczyk, Andrzej Koliński et al. · Nucleic Acids Research · 2015 · 419 citations · Full text

, , +17

1–5 of 309

Authors

1.1K

  1. HA
    Heather A. Carlson

    University of Michigan, United States

    10 publications · 1.3K citations

    10

    h-index

  2. JA
    J. Andrew McCammon

    University of California San Diego, United States

    10 publications · 1.2K citations

    10

    h-index

  3. SK
    Sebastian Kmiecik

    University of Warsaw, Poland

    7 publications · 1K citations

    7

    h-index

  4. AK
    Andrzej Koliński

    University of Warsaw, Poland

    6 publications · 776 citations

    6

    h-index

  5. TH
    Tingjun Hou

    Zhejiang University, China

    5 publications · 225 citations

    5

    h-index

1–5 of 1.1K

Institutions

467

  1. University of Michigan

    Ann Arbor, United States

    11 h-index

    34 publications

    2.3K citations

  2. Scripps Research Institute

    San Diego, United States

    11 h-index

    22 publications

    2.8K citations

  3. University of Warsaw

    Warsaw, Poland

    9 h-index

    40 publications

    7.2K citations

  4. University of California San Diego

    San Diego, United States

    9 h-index

    31 publications

    4.8K citations

  5. Centre National de la Recherche Scientifique

    Paris, France

    9 h-index

    22 publications

    1.2K citations

  6. Michigan State University

    East Lansing, United States

    8 h-index

    24 publications

    1.3K citations

  7. Howard Hughes Medical Institute

    Chevy Chase, United States

    8 h-index

    21 publications

    1.8K citations

  8. Université Paris Cité

    Paris, France

    7 h-index

    23 publications

    1.9K citations

1–8 of 467

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 32 publications · 2.2K citations

    27

    h-index

  2. Proteins Structure Function and Bioinformatics

    33 publications · 3.3K citations

    25

    h-index

  3. Journal of Chemical Theory and Computation

    JCTC · 11 publications · 431 citations

    11

    h-index

  4. Journal of the American Chemical Society

    JACS · 10 publications · 1.4K citations

    10

    h-index

  5. Journal of Computational Chemistry

    9 publications · 2K citations

    9

    h-index

1–5