Concepedia

Allosteric Modulation Modeling

Allosteric Modulation Modeling is a computational or mathematical framework that characterizes the modulation of protein function through the binding of ligands at allosteric sites, distinct from orthosteric ligand-receptor interactions, to predict functional outcomes in drug-target systems.

50

Publications

2.9K

Citations

295

Authors

117

Institutions

Publications per year

2017–2026

26

Parents

Publications

50

Role of Molecular Dynamics and Related Methods in Drug Discovery

Marco De Vivo, Matteo Masetti, Giovanni Bottegoni et al. · Journal of Medicinal Chemistry · 2016 · 1.3K citations · Full text

, , +14

Structural insight into allosteric modulation of protease-activated receptor 2

R.K. Cheng, Cédric Fiez-Vandal, Oliver Schlenker et al. · Nature · 2017 · 253 citations

, , +16

Allosteric Model of Maraviroc Binding to CC Chemokine Receptor 5 (CCR5)

Javier García‐Pérez, Patricia Rueda, José Alcamı́ et al. · Journal of Biological Chemistry · 2011 · 120 citations · Full text

, , +16

Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1

Xin Yang, Xuehui Wang, Zheng Xu et al. · Nature Chemical Biology · 2022 · 97 citations

, , +16

Zinc Inhibits Miniature GABAergic Currents by Allosteric Modulation of GABA<sub>A</sub>Receptor Gating

Andrea Barberis, Enrico Cherubini, Jerzy W. Mozrzymas · Journal of Neuroscience · 2000 · 64 citations · Full text

, , +17

1–5 of 50

Authors

295

  1. LH
    Lilian Hernández Alvarez

    Universidade Estadual Paulista (Unesp), Brazil

    2 publications · 25 citations

    2

    h-index

  2. KJ
    Karen J. Gregory

    Monash University, Australia

    2 publications · 72 citations

    2

    h-index

  3. JE
    Jorge Enrique Hernández González

    Universidade Estadual Paulista (Unesp), Brazil

    2 publications · 25 citations

    2

    h-index

  4. PJ
    P. Jeffrey Conn

    Vanderbilt University, United States

    2 publications · 72 citations

    2

    h-index

  5. AC
    Arthur Christopoulos

    Monash University, Australia

    2 publications · 42 citations

    2

    h-index

1–5 of 295

Institutions

117

  1. Monash University

    Melbourne, Australia

    3 h-index

    25 publications

    948 citations

  2. Universidade Federal do Rio de Janeiro

    Rio de Janeiro, Brazil

    3 h-index

    6 publications

    66 citations

  3. Universidade Estadual Paulista (Unesp)

    São Paulo, Brazil

    2 h-index

    9 publications

    108 citations

  4. University of Pittsburgh

    Pittsburgh, United States

    2 h-index

    6 publications

    156 citations

  5. Centre National de la Recherche Scientifique

    Paris, France

    2 h-index

    10 publications

    200 citations

  6. Center for Theoretical Biological Physics

    Houston, United States

    2 h-index

    2 publications

    25 citations

  7. Vanderbilt University Medical Center

    Nashville, United States

    2 h-index

    15 publications

    696 citations

  8. Forschungszentrum Jülich

    Jülich, Germany

    2 h-index

    7 publications

    1.4K citations

1–8 of 117

Venues

  1. Biochemistry

    3 publications · 94 citations

    3

    h-index

  2. Molecules

    3 publications · 66 citations

    3

    h-index

  3. Journal of Biological Chemistry

    JBC · 2 publications · 165 citations

    2

    h-index

  4. Journal of Chemical Information and Modeling

    JCIM · 1 publications · 18 citations

    2

    h-index

  5. Journal of Computer-Aided Molecular Design

    2 publications · 31 citations

    2

    h-index

1–5