Concepedia

Carbohydrate Simulations

Carbohydrate Simulations is a computational methodology within molecular mechanics that specifically models the conformational dynamics and interactions of carbohydrate molecules using empirically parameterized force fields.

84

Publications

5.5K

Citations

249

Authors

109

Institutions

Publications per year

2017–2026

15

Parents

Publications

84

The power of coarse graining in biomolecular simulations

Helgi I. Ingólfsson, César A. López, Jaakko J. Uusitalo et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 588 citations · Full text

, , +17

A new GROMOS force field for hexopyranose‐based carbohydrates

Roberto D. Lins, Philippe H. Hünenberger · Journal of Computational Chemistry · 2005 · 302 citations

, , +17

Carbohydrate solution simulations: Producing a force field with experimentally consistent primary alcohol rotational frequencies and populations

Michelle M. Kuttel, John W. Brady, Kevin J. Naidoo · Journal of Computational Chemistry · 2002 · 297 citations

, , +17

The role of hydrogen bonding in carbohydrates: molecular dynamics simulations of maltose in aqueous solution

John W. Brady, Rebecca Schmidt · The Journal of Physical Chemistry · 1993 · 205 citations

, , +17

Restrained electrostatic potential atomic partial charges for condensed-phase simulations of carbohydrates

Robert J. Woods, R Chappelle · Journal of Molecular Structure THEOCHEM · 2000 · 202 citations

, , +14

1–5 of 84

Authors

249

  1. JW
    John W. Brady

    Cornell University, United States

    7 publications · 691 citations

    7

    h-index

  2. GW
    Göran Widmalm

    Stockholm University, Sweden

    5 publications · 121 citations

    5

    h-index

  3. JL
    J. L. Willett

    National Center for Agricultural Utilization Research, United States

    3 publications · 180 citations

    3

    h-index

  4. WP
    Wojciech Płaziński

    Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, Poland

    3 publications · 80 citations

    3

    h-index

  5. PH
    Philippe H. Hünenberger

    ETH Zurich, Switzerland

    3 publications · 510 citations

    3

    h-index

1–5 of 249

Institutions

109

  1. Cornell University

    Ithaca, United States

    5 h-index

    8 publications

    437 citations

  2. Stockholm University

    Stockholm, Sweden

    5 h-index

    8 publications

    168 citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    19 publications

    552 citations

  4. University of Groningen

    Groningen, The Netherlands

    4 h-index

    13 publications

    4.4K citations

  5. ETH Zurich

    Zurich, Switzerland

    3 h-index

    7 publications

    784 citations

  6. National Center for Agricultural Utilization Research

    Peoria, United States

    3 h-index

    6 publications

    360 citations

  7. N.D. Zelinsky Institute of Organic Chemistry

    Moscow, Russia

    3 h-index

    4 publications

    151 citations

  8. Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences

    Krakow, Poland

    3 h-index

    6 publications

    165 citations

1–8 of 109

Venues

  1. The Journal of Physical Chemistry B

    14 publications · 731 citations

    11

    h-index

  2. Carbohydrate Research

    7 publications · 314 citations

    7

    h-index

  3. Journal of Chemical Theory and Computation

    JCTC · 7 publications · 413 citations

    7

    h-index

  4. Biopolymers

    6 publications · 196 citations

    6

    h-index

  5. Journal of Chemical Information and Modeling

    JCIM · 5 publications · 243 citations

    5

    h-index

1–5