Concepedia

Binding Pose Analysis

Binding Pose Analysis is a computational method used in structural biology and molecular docking that characterizes the spatial orientation and interaction geometry of a ligand relative to its target macromolecule upon binding, distinguishing it from other docking analyses by specifically focusing on the conformational arrangement and binding mode that determines functional and energetic outcomes.

218

Publications

17.2K

Citations

1K

Authors

406

Institutions

Publications per year

2017–2026

99

Parents

Publications

218

Ligand docking and binding site analysis with PyMOL and Autodock/Vina

Daniel Seeliger, Bert L. de Groot · Journal of Computer-Aided Molecular Design · 2010 · 2.6K citations · Full text

, , +14

Automated docking with grid‐based energy evaluation

Elaine C. Meng, Brian K. Shoichet, Irwin D. Kuntz · Journal of Computational Chemistry · 1992 · 937 citations

, , +17

GNINA 1.0: molecular docking with deep learning

Andrew T. McNutt, Paul Francoeur, Rishal Aggarwal et al. · Journal of Cheminformatics · 2021 · 811 citations · Full text

, , +17

Evaluation of Docking Performance:  Comparative Data on Docking Algorithms

Maria Kontoyianni, Laura M. McClellan, Glenn S. Sokol · Journal of Medicinal Chemistry · 2003 · 593 citations

, , +15

Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data?

Julio Caballero · Molecules · 2018 · 587 citations · Full text

, , +15

1–5 of 218

Authors

1K

  1. MR
    Mohd Rehan

    King Abdulaziz University, Saudi Arabia

    6 publications · 186 citations

    6

    h-index

  2. JC
    Julio Caballero

    University of Talca, Chile

    5 publications · 789 citations

    5

    h-index

  3. TH
    Tingjun Hou

    Zhejiang University, China

    3 publications · 197 citations

    3

    h-index

  4. GK
    G. Klebe

    Philipps University of Marburg, Germany

    3 publications · 127 citations

    3

    h-index

  5. ST
    Shams Tabrez

    King Abdulaziz University, Saudi Arabia

    3 publications · 102 citations

    3

    h-index

1–5 of 1K

Institutions

406

  1. King Abdulaziz University

    Jeddah, Saudi Arabia

    6 h-index

    19 publications

    593 citations

  2. University of Talca

    Talca, Chile

    5 h-index

    9 publications

    991 citations

  3. Fudan University

    Shanghai, China

    4 h-index

    8 publications

    254 citations

  4. The University of Tokyo

    Tokyo, Japan

    4 h-index

    9 publications

    464 citations

  5. University of Washington

    Seattle, United States

    4 h-index

    52 publications

    7.2K citations

  6. University of Pisa

    Pisa, Italy

    4 h-index

    19 publications

    781 citations

  7. Howard Hughes Medical Institute

    Chevy Chase, United States

    4 h-index

    9 publications

    1K citations

  8. Philipps University of Marburg

    Marburg, Germany

    3 h-index

    18 publications

    701 citations

1–8 of 406

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 45 publications · 3K citations

    33

    h-index

  2. Journal of Medicinal Chemistry

    21 publications · 2.2K citations

    17

    h-index

  3. PLoS ONE

    9 publications · 332 citations

    9

    h-index

  4. Proteins Structure Function and Bioinformatics

    7 publications · 704 citations

    7

    h-index

  5. Journal of Computer-Aided Molecular Design

    7 publications · 2.7K citations

    7

    h-index

1–5