Concepedia

Binding Pocket Dynamics

Binding Pocket Dynamics is a theoretical construct that characterizes the conformational flexibility and time-dependent structural changes of the ligand-binding site in an enzyme's active site, distinguishing it from static models by emphasizing the dynamic nature of substrate recognition and catalytic efficiency.

165

Publications

8.9K

Citations

865

Authors

316

Institutions

Publications per year

2017–2026

53

Parents

Publications

165

Complete reconstruction of an enzyme-inhibitor binding process by molecular dynamics simulations

Ignasi Buch, Toni Giorgino, Gianni De Fabritiis · Proceedings of the National Academy of Sciences · 2011 · 694 citations · Full text

, , +17

Mapping the Pathways for O2 Entry Into and Exit from Myoglobin

Emily E. Scott, Quentin Gibson, John S. Olson · Journal of Biological Chemistry · 2001 · 348 citations · Full text

, , +14

Protein Conformational Relaxation and Ligand Migration in Myoglobin:  A Nanosecond to Millisecond Molecular Movie from Time-Resolved Laue X-ray Diffraction

V. Šrajer, Zhong Ren, Tsu-Yi Teng et al. · Biochemistry · 2001 · 328 citations

, , +16

fpocket: online tools for protein ensemble pocket detection and tracking

Peter Schmidtke, Vincent Le Guilloux, Julien Maupetit et al. · Nucleic Acids Research · 2010 · 296 citations · Full text

, , +17

POVME 3.0: Software for Mapping Binding Pocket Flexibility

Jeffrey Wagner, Jesper Givskov Sørensen, Nathan K. Hensley et al. · Journal of Chemical Theory and Computation · 2017 · 273 citations

, , +17

1–5 of 165

Authors

865

  1. JW
    Jinan Wang

    Chinese Academy of Sciences, China

    3 publications · 153 citations

    3

    h-index

  2. DB
    Daria B. Kokh

    Heidelberg Institute for Theoretical Studies, Germany

    3 publications · 143 citations

    3

    h-index

  3. RC
    Rebecca C. Wade

    Heidelberg Institute for Theoretical Studies, Germany

    3 publications · 143 citations

    3

    h-index

  4. AV
    Attilio V. Vargiu

    University of Cagliari, Italy

    3 publications · 155 citations

    3

    h-index

  5. FR
    Fátima Rodríguez‐Barrios

    Universidad de Alcalá, Spain

    2 publications · 78 citations

    2

    h-index

1–5 of 865

Institutions

316

  1. University of California San Diego

    San Diego, United States

    10 h-index

    22 publications

    2.5K citations

  2. Howard Hughes Medical Institute

    Chevy Chase, United States

    6 h-index

    16 publications

    626 citations

  3. University of Cagliari

    Cagliari, Italy

    4 h-index

    11 publications

    583 citations

  4. University of Kansas

    Lawrence, United States

    4 h-index

    20 publications

    776 citations

  5. University of California, San Francisco

    San Francisco, United States

    4 h-index

    9 publications

    421 citations

  6. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    16 publications

    1.1K citations

  7. Heidelberg University

    Heidelberg, Germany

    4 h-index

    11 publications

    374 citations

  8. Université Paris Cité

    Paris, France

    3 h-index

    11 publications

    1.6K citations

1–8 of 316

Venues

  1. Biochemistry

    12 publications · 672 citations

    12

    h-index

  2. Journal of the American Chemical Society

    JACS · 11 publications · 662 citations

    11

    h-index

  3. The Journal of Physical Chemistry B

    10 publications · 379 citations

    10

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 9 publications · 432 citations

    9

    h-index

  5. Proceedings of the National Academy of Sciences

    PNAS · 9 publications · 1.3K citations

    9

    h-index

1–5