Concepedia

Induced-fit Modeling

Induced-Fit Modeling is a computational framework in receptor modeling that describes the dynamic structural adaptation of a biomolecular binding site upon ligand interaction, distinguishing itself from rigid-body docking approaches by explicitly accounting for conformational changes in both the receptor and ligand during complex formation.

190

Publications

15.2K

Citations

826

Authors

336

Institutions

Publications per year

2017–2026

56

Parents

Publications

190

Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects

Woody Sherman, Tyler Day, Matthew P. Jacobson et al. · Journal of Medicinal Chemistry · 2005 · 2K citations

, , +16

Induced fit, conformational selection and independent dynamic segments: an extended view of binding events

Péter Csermely, Robin Palotai, Ruth Nussinov · Trends in Biochemical Sciences · 2010 · 820 citations · Full text

, , +17

The Key–Lock Theory and the Induced Fit Theory

Daniel E. Koshland · Angewandte Chemie International Edition in English · 1995 · 738 citations

, , +15

Use of an Induced Fit Receptor Structure in Virtual Screening

Woody Sherman, Hege S. Beard, Ramy Farid · Chemical Biology & Drug Design · 2005 · 697 citations · Full text

, , +17

An induced-fit mechanism to promote peptide bond formation and exclude hydrolysis of peptidyl-tRNA

T. Martin Schmeing, Kevin S. Huang, Scott A. Strobel et al. · Nature · 2005 · 354 citations

, , +11

1–5 of 190

Authors

826

  1. RA
    Richard A. Friesner

    Columbia University, United States

    6 publications · 2.4K citations

    6

    h-index

  2. AV
    Angelo Vedani

    University of Basel, Switzerland

    5 publications · 434 citations

    5

    h-index

  3. MD
    Max Dobler

    ETH Zurich, Switzerland

    4 publications · 390 citations

    4

    h-index

  4. JZ
    Jian Zhang

    Shanghai Jiao Tong University, China

    3 publications · 62 citations

    3

    h-index

  5. RN
    Ruth Nussinov

    Tel Aviv University, Israel

    3 publications · 987 citations

    3

    h-index

1–5 of 826

Institutions

336

  1. Centre National de la Recherche Scientifique

    Paris, France

    7 h-index

    32 publications

    1.1K citations

  2. Columbia University

    New York, United States

    6 h-index

    18 publications

    12.2K citations

  3. Schrodinger (United States)

    New York, United States

    6 h-index

    28 publications

    15.3K citations

  4. University of California San Diego

    San Diego, United States

    5 h-index

    11 publications

    670 citations

  5. Scripps Research Institute

    San Diego, United States

    5 h-index

    12 publications

    851 citations

  6. University of Cambridge

    Cambridge, United Kingdom

    4 h-index

    8 publications

    622 citations

  7. ETH Zurich

    Zurich, Switzerland

    4 h-index

    18 publications

    866 citations

  8. Weizmann Institute of Science

    Rehovot, Israel

    4 h-index

    9 publications

    634 citations

1–8 of 336

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 14 publications · 436 citations

    13

    h-index

  2. Biochemistry

    13 publications · 429 citations

    13

    h-index

  3. Journal of the American Chemical Society

    JACS · 11 publications · 669 citations

    11

    h-index

  4. Proceedings of the National Academy of Sciences

    PNAS · 11 publications · 2.1K citations

    11

    h-index

  5. Journal of Medicinal Chemistry

    10 publications · 2.7K citations

    10

    h-index

1–5