Concepedia

Multi-conformation Electrostatics

Multi-Conformation Electrostatics is a computational framework within biomolecular electrostatics that integrates the electrostatic properties of multiple molecular conformations to account for structural flexibility in the calculation of electrostatic potentials and energies, distinguishing it from static, single-structure approaches.

9

Publications

1.8K

Citations

27

Authors

11

Institutions

Publications per year

2017–2026

0

Parents

Publications

9

Biased Probability Monte Carlo Conformational Searches and Electrostatic Calculations for Peptides and Proteins

Ruben Abagyan, Maxim Totrov · Journal of Molecular Biology · 1994 · 988 citations

, , +14

Combining Conformational Flexibility and Continuum Electrostatics for Calculating pKas in Proteins

Roxana E. Georgescu, Emil Alexov, M. R. Gunner · Biophysical Journal · 2002 · 470 citations · Full text

, , +14

Analysis of the electrochemistry of hemes with <i>E</i><sub>m</sub>s spanning 800 mV

Zhong Zheng, M. R. Gunner · Proteins Structure Function and Bioinformatics · 2008 · 93 citations · Full text

, , +17

Calculated Proton Uptake on Anaerobic Reduction of Cytochrome<i>c</i>Oxidase:  Is the Reaction Electroneutral?

Yifan Song, Ekaterina Michonova-Alexova, M. R. Gunner · Biochemistry · 2006 · 68 citations · Full text

, , +16

Electrostatic and Conformational Effects on the Proton Translocation Steps in Bacteriorhodopsin: Analysis of Multiple M Structures

Christina Scharnagl, Johannes Hettenkofer, Sighart F. Fischer · The Journal of Physical Chemistry · 1995 · 54 citations

, , +17

1–5 of 9

Authors

27

  1. MR
    M. R. Gunner

    City College of New York, United States

    3 publications · 631 citations

    3

    h-index

  2. EA
    Emil Alexov

    Clemson University, United States

    2 publications · 507 citations

    2

    h-index

  3. YS
    Yifan Song

    City College of New York, United States

    1 publications · 68 citations

    1

    h-index

  4. CJ
    C. J. Schrijver

    Lockheed Martin (United States), United States

    1 publications · 11 citations

    1

    h-index

  5. MS
    Michael Schaefer

    Institut de Chimie, France

    1 publications · 31 citations

    1

    h-index

1–5 of 27

Institutions

11

  1. City College of New York

    New York, United States

    3 h-index

    8 publications

    1.8K citations

  2. Clemson University

    Clemson, United States

    1 h-index

    7 publications

    259 citations

  3. Zero to Three

    Washington, United States

    1 h-index

    1 publications

    37 citations

  4. Harvard University

    Cambridge, United States

    1 h-index

    1 publications

    31 citations

  5. Harvard University Press

    Cambridge, United States

    1 h-index

    1 publications

    31 citations

  6. University of Amsterdam

    Amsterdam, The Netherlands

    1 h-index

    2 publications

    22 citations

  7. European Molecular Biology Laboratory

    Heidelberg, Germany

    1 h-index

    1 publications

    988 citations

  8. European Molecular Biology Laboratory

    Hamburg, Germany

    1 h-index

    2 publications

    2K citations

1–8 of 11

Venues

  1. Proteins Structure Function and Bioinformatics

    2 publications · 130 citations

    2

    h-index

  2. Journal of Molecular Biology

    JMB · 1 publications · 988 citations

    1

    h-index

  3. Physica

    1 publications · 11 citations

    1

    h-index

  4. Theoretical Chemistry Accounts

    1 publications · 31 citations

    1

    h-index

  5. The Journal of Physical Chemistry

    1 publications · 54 citations

    1

    h-index

1–5