Concepedia

Bioactive Conformer Selection

Bioactive Conformer Selection is the computational process of identifying the specific three-dimensional conformation of a ligand that binds to a biological target, distinguished from other conformational states by its experimentally observed biological activity.

42

Publications

2.5K

Citations

195

Authors

76

Institutions

Publications per year

2017–2026

5

Parents

Publications

42

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

K. Shawn Watts, Pranav Dalal, Robert B. Murphy et al. · Journal of Chemical Information and Modeling · 2010 · 450 citations

, , +17

Assessing the performance of OMEGA with respect to retrieving bioactive conformations

Jonas Boström, Jeremy R. Greenwood, Johan Gottfries · Journal of Molecular Graphics and Modelling · 2003 · 315 citations

, , +8

5D-QSAR:  The Key for Simulating Induced Fit?

Angelo Vedani, Max Dobler · Journal of Medicinal Chemistry · 2002 · 212 citations

, , +14

Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst:  A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations

Johannes Kirchmair, Gerhard Wolber, Christian Laggner et al. · Journal of Chemical Information and Modeling · 2006 · 151 citations

, , +17

Determination of the Bioactive Conformation of the Carbohydrate Ligand in the E‐Selectin/Sialyl Lewis<sup>X</sup> Complex

Thomas Peters, Karoline Scheffler, Beat Ernst et al. · Angewandte Chemie International Edition in English · 1995 · 110 citations

, , +17

1–5 of 42

Authors

195

  1. MA
    Masamoto Arakawa

    The University of Tokyo, Japan

    2 publications · 47 citations

    2

    h-index

  2. HS
    Hanoch Senderowitz

    Bar-Ilan University, Israel

    2 publications · 31 citations

    2

    h-index

  3. KH
    Kiyoshi Hasegawa

    University of Toyama, Japan

    2 publications · 47 citations

    2

    h-index

  4. BM
    Boaz Musafia

    Tel Aviv University, Israel

    2 publications · 31 citations

    2

    h-index

  5. KF
    Kimito Funatsu

    The University of Tokyo, Japan

    2 publications · 47 citations

    2

    h-index

1–5 of 195

Institutions

76

  1. Centro de Investigaciones Biológicas Margarita Salas

    Madrid, Spain

    2 h-index

    7 publications

    228 citations

  2. Consejo Superior de Investigaciones Científicas

    Madrid, Spain

    2 h-index

    8 publications

    261 citations

  3. Schrodinger (United States)

    New York, United States

    2 h-index

    8 publications

    2.8K citations

  4. Novartis (Switzerland)

    Basel, Switzerland

    2 h-index

    3 publications

    259 citations

  5. Toyohashi University of Technology

    Toyohashi, Japan

    2 h-index

    4 publications

    94 citations

  6. East China University of Science and Technology

    Shanghai, China

    2 h-index

    6 publications

    116 citations

  7. Duke University

    Durham, United States

    1 h-index

    4 publications

    392 citations

  8. Goethe University Frankfurt

    Frankfurt am Main, Germany

    1 h-index

    4 publications

    184 citations

1–8 of 76

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 7 publications · 773 citations

    7

    h-index

  2. Bioorganic & Medicinal Chemistry

    4 publications · 157 citations

    4

    h-index

  3. Journal of Computer-Aided Molecular Design

    3 publications · 58 citations

    3

    h-index

  4. Journal of the American Chemical Society

    JACS · 2 publications · 97 citations

    2

    h-index

  5. Journal of Medicinal Chemistry

    2 publications · 256 citations

    2

    h-index

1–5