Concepedia

Conformational Entropy Estimation

Conformational Entropy Estimation is a computational method in molecular modeling that quantifies the entropic contribution arising from the spatial flexibility of a molecule by analyzing the distribution and accessibility of its conformational states.

188

Publications

11.5K

Citations

502

Authors

231

Institutions

Publications per year

2017–2026

33

Parents

Publications

188

Conformational entropy in molecular recognition by proteins

Kendra K. Frederick, Michael S. Marlow, Kathleen G. Valentine et al. · Nature · 2007 · 668 citations

, , +14

Estimation of absolute and relative entropies of macromolecules using the covariance matrix

Jürgen Schlitter · Chemical Physics Letters · 1993 · 632 citations

, , +14

Contributions to Conformational Entropy Arising from Bond Vector Fluctuations Measured from NMR-Derived Order Parameters: Application to Protein Folding

Daiwen Yang, Lewis E. Kay · Journal of Molecular Biology · 1996 · 464 citations

, , +17

Estimating the Entropic Cost of Self-Assembly of Multiparticle Hydrogen-Bonded Aggregates Based on the Cyanuric Acid·Melamine Lattice

Mathai Mammen, Eugene I. Shakhnovich, J. M. Deutch et al. · The Journal of Organic Chemistry · 1998 · 456 citations

, , +17

Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism

A. J. Hopfinger, Shen Wang, John S. Tokarski et al. · Journal of the American Chemical Society · 1997 · 416 citations

, , +17

1–5 of 188

Authors

502

  1. DS
    Dimas Suárez

    Universidad de Oviedo, Spain

    7 publications · 253 citations

    7

    h-index

  2. HM
    Hagai Meirovitch

    Florida State University, United States

    7 publications · 172 citations

    7

    h-index

  3. ND
    Natalia Díaz

    Universidad de Oviedo, Spain

    6 publications · 227 citations

    6

    h-index

  4. AJ
    A. Joshua Wand

    University of Pennsylvania, United States

    5 publications · 940 citations

    5

    h-index

  5. VH
    V. Hnizdo

    National Institute for Occupational Safety and Health, United States

    5 publications · 283 citations

    5

    h-index

1–5 of 502

Institutions

231

  1. Florida State University

    Tallahassee, United States

    8 h-index

    17 publications

    520 citations

  2. Universidad de Oviedo

    Oviedo, Spain

    7 h-index

    16 publications

    610 citations

  3. University of Pittsburgh

    Pittsburgh, United States

    6 h-index

    9 publications

    245 citations

  4. University of Pennsylvania

    Philadelphia, United States

    6 h-index

    24 publications

    3.2K citations

  5. National Institute for Occupational Safety and Health

    Washington D.C., United States

    5 h-index

    19 publications

    1.1K citations

  6. Harvard University

    Cambridge, United States

    5 h-index

    11 publications

    2.3K citations

  7. Johns Hopkins Medicine

    Baltimore, United States

    5 h-index

    8 publications

    477 citations

  8. Max Planck Institute for Biophysical Chemistry

    Göttingen, Germany

    5 h-index

    9 publications

    460 citations

1–8 of 231

Venues

  1. Journal of Chemical Theory and Computation

    JCTC · 16 publications · 821 citations

    16

    h-index

  2. Proteins Structure Function and Bioinformatics

    17 publications · 1.2K citations

    14

    h-index

  3. The Journal of Chemical Physics

    17 publications · 780 citations

    14

    h-index

  4. The Journal of Physical Chemistry B

    10 publications · 327 citations

    10

    h-index

  5. Journal of Computational Chemistry

    8 publications · 467 citations

    8

    h-index

1–5