Concepedia

Solvent Model Refinement

Solvent Model Refinement is a computational methodology in structural refinement that specifically optimizes the representation of solvent molecules surrounding a macromolecular structure to improve the accuracy of molecular models derived from experimental data.

20

Publications

1.7K

Citations

49

Authors

23

Institutions

Publications per year

2017–2026

3

Parents

Publications

20

Comment on the Correct Use of Continuum Solvent Models

Junming Ho, Andreas Klamt, Michelle L. Coote · The Journal of Physical Chemistry A · 2010 · 577 citations

, , +11

Performance of a Conductor-Like Screening Model for Real Solvents Model in Comparison to Classical Group Contribution Methods

Hans Grensemann, Jürgen Gmehling · Industrial & Engineering Chemistry Research · 2005 · 182 citations

, , +16

An improved method for calculating the contribution of solvent to the X-ray diffraction pattern of biological molecules

Russell Fraser, T.P. MacRae, E. Suzuki · Journal of Applied Crystallography · 1978 · 153 citations

, , +16

Disordered water within a hydrophobic protein cavity visualized by x-ray crystallography

Bingcheng Yu, Michael Blaber, Angela M. Gronenborn et al. · Proceedings of the National Academy of Sciences · 1999 · 126 citations

, , +17

An automatic three-dimensional finite element mesh generation system for the Poisson-Boltzmann equation

Christian M. Cortis, Richard A. Friesner · Journal of Computational Chemistry · 1997 · 104 citations

, , +16

1–5 of 20

Authors

49

  1. TH
    Teresa Head‐Gordon

    University of California, Berkeley, United States

    2 publications · 62 citations

    2

    h-index

  2. AS
    Alexander S. Arseniev

    Institute of Bioorganic Chemistry, Russia

    2 publications · 98 citations

    2

    h-index

  3. DL
    D. L. D. Caspar

    Brandeis University, United States

    2 publications · 191 citations

    2

    h-index

  4. RG
    Roman G. Efremov

    Institute of Bioorganic Chemistry, Russia

    2 publications · 98 citations

    2

    h-index

  5. DE
    Dmitry E. Nolde

    Institute of Bioorganic Chemistry, Russia

    2 publications · 98 citations

    2

    h-index

1–5 of 49

Institutions

23

  1. National Institute of Diabetes and Digestive and Kidney Diseases

    Bethesda, United States

    2 h-index

    6 publications

    672 citations

  2. University of Washington

    Seattle, United States

    2 h-index

    2 publications

    27 citations

  3. Institute of Bioorganic Chemistry

    Moscow, Russia

    2 h-index

    6 publications

    294 citations

  4. Ecologic Institute

    Berlin, Germany

    1 h-index

    1 publications

    31 citations

  5. Carl von Ossietzky Universität Oldenburg

    Oldenburg, Germany

    1 h-index

    2 publications

    364 citations

  6. National Institute of Standards and Technology

    Gaithersburg, United States

    1 h-index

    1 publications

    42 citations

  7. National Institutes of Health

    Bethesda, United States

    1 h-index

    1 publications

    42 citations

  8. Technical University of Denmark

    Kongens Lyngby, Denmark

    1 h-index

    4 publications

    60 citations

1–8 of 23

Venues

  1. Biophysical Journal

    3 publications · 140 citations

    3

    h-index

  2. Chemical Physics Letters

    2 publications · 76 citations

    2

    h-index

  3. Proceedings of the National Academy of Sciences

    PNAS · 2 publications · 191 citations

    2

    h-index

  4. Methods in enzymology on CD-ROM/Methods in enzymology

    Book series · 1 publications · 29 citations

    1

    h-index

  5. International Journal of Quantum Chemistry

    1 publications · 23 citations

    1

    h-index

1–5