Concepedia

Ensemble Binding Models

Ensemble Binding Models is a theoretical framework in biophysical chemistry that, unlike induced fit models, posits ligand binding occurs through selective stabilization of pre-existing conformational states within a dynamic protein ensemble, thereby explaining molecular recognition via population shifts.

24

Publications

823

Citations

76

Authors

46

Institutions

Publications per year

2017–2026

15

Parents

Publications

24

QSAR Modeling of Human Serum Protein Binding with Several Modeling Techniques Utilizing Structure−Information Representation

Joseph R. Votano, Marc Parham, L. Mark Hall et al. · Journal of Medicinal Chemistry · 2006 · 154 citations

, , +17

Proper modelling of ligand binding requires an ensemble of bound and unbound states

Nicholas M. Pearce, T. Krojer, F. von Delft · Acta Crystallographica Section D Structural Biology · 2017 · 71 citations · Full text

, , +16

BgN-Score and BsN-Score: Bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes

Hossam M. Ashtawy, Nihar R. Mahapatra · BMC Bioinformatics · 2015 · 66 citations · Full text

, , +17

SIENA: Efficient Compilation of Selective Protein Binding Site Ensembles

Stefan Bietz, Matthias Rarey · Journal of Chemical Information and Modeling · 2016 · 49 citations

, , +16

Persistent spectral based ensemble learning (PerSpect-EL) for protein–protein binding affinity prediction

JunJie Wee, Kelin Xia · Briefings in Bioinformatics · 2022 · 46 citations

, , +12

1–5 of 24

Authors

76

  1. VP
    Vitaly P. Solov’ev

    Frumkin Institute of Physical Chemistry and Electrochemistry, Russia

    2 publications · 39 citations

    2

    h-index

  2. NR
    Nihar R. Mahapatra

    Michigan State University, United States

    2 publications · 84 citations

    2

    h-index

  3. MA
    Mohammed Alshahrani

    Chapman University, United States

    2 publications · 33 citations

    2

    h-index

  4. HM
    Hossam M. Ashtawy

    Michigan State University, United States

    2 publications · 84 citations

    2

    h-index

  5. AV
    Alexandre Varnek

    Université de Strasbourg, France

    2 publications · 39 citations

    2

    h-index

1–5 of 76

Institutions

46

  1. Michigan State University

    East Lansing, United States

    3 h-index

    4 publications

    168 citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    2 h-index

    3 publications

    53 citations

  3. Université de Strasbourg

    Strasbourg, France

    2 h-index

    3 publications

    53 citations

  4. University of Science and Technology of China

    Hefei, China

    2 h-index

    6 publications

    120 citations

  5. Chapman University

    Orange, United States

    2 h-index

    8 publications

    132 citations

  6. Frumkin Institute of Physical Chemistry and Electrochemistry

    Moscow, Russia

    2 h-index

    2 publications

    39 citations

  7. Prism Biolab Corporation (Japan)

    Yokohama, Japan

    1 h-index

    1 publications

    13 citations

  8. University of Freiburg

    Freiburg im Breisgau, Germany

    1 h-index

    3 publications

    48 citations

1–8 of 46

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 3 publications · 105 citations

    3

    h-index

  2. Proceedings of the National Academy of Sciences

    PNAS · 2 publications · 66 citations

    2

    h-index

  3. Molecules

    2 publications · 63 citations

    2

    h-index

  4. 1

    h-index

  5. Journal of Immunological Methods

    1 publications · 13 citations

    1

    h-index

1–5