Concepedia

Allostery Modeling

Allostery Modeling is a computational framework that belongs to the class of molecular simulation methods and is distinguished by its focus on quantitatively predicting and analyzing long-range conformational changes in biomolecules induced by ligand binding at allosteric sites.

59

Publications

2.8K

Citations

248

Authors

135

Institutions

Publications per year

2017–2026

22

Parents

Publications

59

Modeling the cAMP-induced Allosteric Transition Using the Crystal Structure of CAP-cAMP at 2.1 Å Resolution

J.M. Passner, S.C. Schultz, Thomas A. Steitz · Journal of Molecular Biology · 2000 · 227 citations

, , +13

A Theoretical Study of the Binding of Small Molecules to a Polymerizing Protein System. A Model for Allosteric Effects<sup>*</sup>

L.W. Nichol, W. J. H. Jackson, Donald J. Winzor · Biochemistry · 1967 · 213 citations

, , +17

A kinetic view of GPCR allostery and biased agonism

J. Robert Lane, Lauren T. May, Robert G. Parton et al. · Nature Chemical Biology · 2017 · 176 citations · Full text

, , +14

Structure-Based Statistical Mechanical Model Accounts for the Causality and Energetics of Allosteric Communication

Enrico Guarnera, Igor N. Berezovsky · PLoS Computational Biology · 2016 · 141 citations · Full text

, , +17

Neural relational inference to learn long-range allosteric interactions in proteins from molecular dynamics simulations

Jingxuan Zhu, Juexin Wang, Weiwei Han et al. · Nature Communications · 2022 · 130 citations · Full text

, , +17

1–5 of 59

Authors

248

  1. GW
    Gregory W. Kyro

    Yale University, United States

    2 publications · 44 citations

    2

    h-index

  2. MC
    Matteo Castelli

    University of Pavia, Italy

    2 publications · 55 citations

    2

    h-index

  3. FL
    Filip Lankaš

    Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry, Czechia

    2 publications · 47 citations

    2

    h-index

  4. JP
    J. Patrick Loria

    Yale University, United States

    2 publications · 56 citations

    2

    h-index

  5. TD
    Tomáš Dršata

    Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry, Czechia

    2 publications · 47 citations

    2

    h-index

1–5 of 248

Institutions

135

  1. Yale University

    New Haven, United States

    4 h-index

    14 publications

    532 citations

  2. University of Bologna

    Bologna, Italy

    3 h-index

    7 publications

    149 citations

  3. National Institutes of Health

    Bethesda, United States

    3 h-index

    5 publications

    189 citations

  4. Howard Hughes Medical Institute

    Chevy Chase, United States

    3 h-index

    5 publications

    577 citations

  5. University of California, Berkeley

    Berkeley, United States

    2 h-index

    2 publications

    142 citations

  6. Palacký University Olomouc

    Olomouc, Czechia

    2 h-index

    4 publications

    94 citations

  7. Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry

    Prague, Czechia

    2 h-index

    4 publications

    94 citations

  8. Czech Academy of Sciences

    Prague, Czechia

    2 h-index

    2 publications

    47 citations

1–8 of 135

Venues

  1. Journal of the American Chemical Society

    JACS · 4 publications · 197 citations

    4

    h-index

  2. Nature Communications

    4 publications · 276 citations

    4

    h-index

  3. Journal of Molecular Biology

    JMB · 4 publications · 294 citations

    4

    h-index

  4. Biophysical Journal

    4 publications · 124 citations

    4

    h-index

  5. The Journal of Physical Chemistry B

    3 publications · 137 citations

    3

    h-index

1–5