Concepedia

Molecular Recognition Modeling

Molecular Recognition Modeling is a computational framework that specifically characterizes the structural and energetic determinants governing the selective binding interactions between biomolecules, particularly proteins, by integrating physical principles and empirical data to predict and analyze interface specificity and affinity.

697

Publications

37.3K

Citations

3.3K

Authors

1K

Institutions

Publications per year

2017–2026

153

Parents

Publications

697

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

Gareth Jones, Peter Willett, Robert C. Glen · Journal of Molecular Biology · 1995 · 1.5K citations

, , +15

Molecular modeling of protein-glycosaminoglycan interactions.

A D Cardin, Herschel J. R. Weintraub · Arteriosclerosis An Official Journal of the American Heart Association Inc · 1989 · 1.3K citations · Full text

, , +15

Deciphering interaction fingerprints from protein molecular surfaces using geometric deep learning

Pablo Gaínza, Freyr Sverrisson, Federico Monti et al. · Nature Methods · 2019 · 840 citations · Full text

, , +12

Structural basis for molecular recognition of folic acid by folate receptors

Chen Chen, Jiyuan Ke, X. Edward Zhou et al. · Nature · 2013 · 685 citations · Full text

, , +17

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

Daniel K. Gehlhaar, Gennady M. Verkhivker, Paul A. Rejto et al. · Chemistry & Biology · 1995 · 685 citations · Full text

, , +17

1–5 of 697

Authors

3.3K

  1. JJ
    Jesús Jiménez‐Barbero

    Centro de Investigaciones Biológicas Margarita Salas, Spain

    11 publications · 465 citations

    11

    h-index

  2. FJ
    F. Javier Cañada

    Centro de Investigaciones Biológicas Margarita Salas, Spain

    6 publications · 270 citations

    6

    h-index

  3. MT
    M. Teresa Pisabarro

    Technische Universität Dresden, Germany

    5 publications · 226 citations

    5

    h-index

  4. IA
    Ilya A. Vakser

    University of Kansas, United States

    5 publications · 359 citations

    5

    h-index

  5. JA
    J. Andrew McCammon

    University of California San Diego, United States

    5 publications · 198 citations

    5

    h-index

1–5 of 3.3K

Institutions

1K

  1. Centre National de la Recherche Scientifique

    Paris, France

    24 h-index

    143 publications

    7K citations

  2. Inserm

    Paris, France

    12 h-index

    45 publications

    2.3K citations

  3. University of Pittsburgh

    Pittsburgh, United States

    9 h-index

    23 publications

    2.1K citations

  4. Chinese Academy of Sciences

    Beijing, China

    9 h-index

    56 publications

    7.5K citations

  5. National Institutes of Health

    Bethesda, United States

    9 h-index

    43 publications

    1.8K citations

  6. University of Washington

    Seattle, United States

    9 h-index

    50 publications

    2.6K citations

  7. Weizmann Institute of Science

    Rehovot, Israel

    8 h-index

    23 publications

    1.8K citations

  8. University of California San Diego

    San Diego, United States

    8 h-index

    32 publications

    1.9K citations

1–8 of 1K

Venues

  1. Journal of the American Chemical Society

    JACS · 26 publications · 2.2K citations

    24

    h-index

  2. Journal of Biological Chemistry

    JBC · 26 publications · 1.5K citations

    23

    h-index

  3. Biochemistry

    29 publications · 1.1K citations

    20

    h-index

  4. Proteins Structure Function and Bioinformatics

    25 publications · 1.3K citations

    19

    h-index

  5. Journal of Medicinal Chemistry

    18 publications · 862 citations

    16

    h-index

1–5