Concepedia

Molecular Shape Analysis

Molecular Shape Analysis is a computational method that characterizes the three-dimensional spatial arrangement of molecular structures to evaluate steric compatibility in bioisosteric replacements.

516

Publications

27K

Citations

1.7K

Authors

557

Institutions

Publications per year

2017–2026

42

Parents

Publications

516

Novel tools for visualizing and exploring intermolecular interactions in molecular crystals

Joshua J. McKinnon, Mark A. Spackman, Anthony S. Mitchell · Acta Crystallographica Section B Structural Science · 2004 · 2.7K citations

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A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape

Jennifer Grant, M.A. Gallardo, Barry T. Pickup · Journal of Computational Chemistry · 1996 · 509 citations

, , +10

Shaping the interaction landscape of bioactive molecules

David Gfeller, Olivier Michielin, Vincent Zoete · Bioinformatics · 2013 · 503 citations · Full text

, , +17

Molecular Shape Diversity of Combinatorial Libraries:  A Prerequisite for Broad Bioactivity

Wolfgang Sauer, Matthias Schwarz · Journal of Chemical Information and Computer Sciences · 2003 · 496 citations

, , +17

Pharmit: interactive exploration of chemical space

Jocelyn Sunseri, David Ryan Koes · Nucleic Acids Research · 2016 · 422 citations · Full text

, , +16

1–5 of 516

Authors

1.7K

  1. GA
    Gustavo A. Arteca

    Laurentian University, Canada

    15 publications · 357 citations

    13

    h-index

  2. PG
    Paul G. Mezey

    University of Saskatchewan, Canada

    19 publications · 485 citations

    13

    h-index

  3. AJ
    A. J. Hopfinger

    University of Illinois Chicago, United States

    10 publications · 453 citations

    10

    h-index

  4. JW
    John W. Goodby

    University of Hull, United Kingdom

    6 publications · 218 citations

    6

    h-index

  5. AJ
    A. J. Hopfinger

    University of Illinois Chicago, United States

    6 publications · 198 citations

    6

    h-index

1–5 of 1.7K

Institutions

557

  1. University of Saskatchewan

    Saskatoon, Canada

    12 h-index

    38 publications

    889 citations

  2. Kyoto University

    Kyoto, Japan

    10 h-index

    25 publications

    1.3K citations

  3. Centre National de la Recherche Scientifique

    Paris, France

    10 h-index

    39 publications

    2K citations

  4. University of Oxford

    Oxford, United Kingdom

    9 h-index

    20 publications

    1.4K citations

  5. University of Illinois Chicago

    Chicago, United States

    8 h-index

    15 publications

    383 citations

  6. Martin Luther University Halle-Wittenberg

    Halle, Germany

    7 h-index

    19 publications

    1.4K citations

  7. University of Manchester

    Manchester, United Kingdom

    6 h-index

    22 publications

    630 citations

  8. Toyohashi University of Technology

    Toyohashi, Japan

    6 h-index

    20 publications

    736 citations

1–8 of 557

Venues

  1. The Journal of Chemical Physics

    27 publications · 1.3K citations

    17

    h-index

  2. Journal of Medicinal Chemistry

    17 publications · 1.4K citations

    16

    h-index

  3. Journal of Chemical Information and Modeling

    JCIM · 19 publications · 757 citations

    14

    h-index

  4. Liquid Crystals

    15 publications · 519 citations

    14

    h-index

  5. Journal of the American Chemical Society

    JACS · 13 publications · 948 citations

    12

    h-index

1–5