Concepedia

Conformational Ensemble Modeling

Conformational Ensemble Modeling is a computational framework that represents the dynamic three-dimensional structures of protein complexes or interacting protein systems as a collection of distinct but thermodynamically plausible conformations to capture the inherent flexibility and structural heterogeneity observed in protein-protein interactions.

346

Publications

22K

Citations

1.2K

Authors

492

Institutions

Publications per year

2017–2026

143

Parents

Publications

346

<i>ProDy</i>: Protein Dynamics Inferred from Theory and Experiments

Ahmet Bakan, Lidio Meireles, İvet Bahar · Bioinformatics · 2011 · 1.2K citations · Full text

, , +17

Calculation of conformational ensembles from potentials of mena force

Manfred J. Sippl · Journal of Molecular Biology · 1990 · 1.1K citations

, , +14

Advanced ensemble modelling of flexible macromolecules using X-ray solution scattering

Giancarlo Tria, Haydyn D. T. Mertens, Michael Kachala et al. · IUCrJ · 2015 · 628 citations · Full text

, , +17

Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

Elena Papaleo, Paolo Mereghetti, Piercarlo Fantucci et al. · Journal of Molecular Graphics and Modelling · 2009 · 605 citations

, , +17

CIDER: Resources to Analyze Sequence-Ensemble Relationships of Intrinsically Disordered Proteins

Alex S. Holehouse, Rahul K. Das, James Ahad et al. · Biophysical Journal · 2017 · 603 citations · Full text

, , +16

1–5 of 346

Authors

1.2K

  1. MV
    Michele Vendruscolo

    University of Cambridge, United Kingdom

    11 publications · 945 citations

    11

    h-index

  2. KL
    Kresten Lindorff‐Larsen

    University of Copenhagen, Denmark

    9 publications · 604 citations

    9

    h-index

  3. TH
    Teresa Head‐Gordon

    University of California, Berkeley, United States

    7 publications · 728 citations

    7

    h-index

  4. VJ
    Vincent J. Hilser

    Johns Hopkins University, United States

    6 publications · 806 citations

    6

    h-index

  5. LE
    Lydia E. Kavraki

    Rice University, United States

    5 publications · 227 citations

    5

    h-index

1–5 of 1.2K

Institutions

492

  1. Centre National de la Recherche Scientifique

    Paris, France

    13 h-index

    43 publications

    5.4K citations

  2. University of Cambridge

    Cambridge, United Kingdom

    12 h-index

    44 publications

    4.2K citations

  3. Stanford University

    Stanford, United States

    11 h-index

    33 publications

    1.9K citations

  4. University of California, San Francisco

    San Francisco, United States

    10 h-index

    32 publications

    2K citations

  5. University of Copenhagen

    Copenhagen, Denmark

    10 h-index

    40 publications

    3K citations

  6. ETH Zurich

    Zurich, Switzerland

    9 h-index

    16 publications

    786 citations

  7. École Polytechnique Fédérale de Lausanne

    Lausanne, Switzerland

    8 h-index

    23 publications

    537 citations

  8. University of California, Berkeley

    Berkeley, United States

    8 h-index

    22 publications

    2K citations

1–8 of 492

Venues

  1. Journal of the American Chemical Society

    JACS · 23 publications · 1.9K citations

    22

    h-index

  2. Journal of Chemical Theory and Computation

    JCTC · 26 publications · 1.2K citations

    20

    h-index

  3. Proteins Structure Function and Bioinformatics

    19 publications · 649 citations

    16

    h-index

  4. The Journal of Physical Chemistry B

    21 publications · 781 citations

    16

    h-index

  5. Journal of Chemical Information and Modeling

    JCIM · 16 publications · 670 citations

    15

    h-index

1–5