Concepedia

Bioactive Conformation Selection

Bioactive Conformation Selection is the process of identifying the specific three-dimensional molecular conformation adopted by a ligand when bound to its biological target, distinguishing it from other possible conformations by its direct relevance to observed pharmacological activity.

186

Publications

8.3K

Citations

1.1K

Authors

265

Institutions

Publications per year

2017–2026

22

Parents

Publications

186

ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers

K. Shawn Watts, Pranav Dalal, Robert B. Murphy et al. · Journal of Chemical Information and Modeling · 2010 · 450 citations

, , +17

Assessing the performance of OMEGA with respect to retrieving bioactive conformations

Jonas Boström, Jeremy R. Greenwood, Johan Gottfries · Journal of Molecular Graphics and Modelling · 2003 · 315 citations

, , +8

Bioactive Conformation of Luteinizing Hormone-Releasing Hormone: Evidence from a Conformationally Constrained Analog

Roger Freidinger, Daniel F. Veber, Debra S. Perlow et al. · Science · 1980 · 313 citations

, , +16

Structure‐Based Design of a Macrocyclic PROTAC

Andrea Testa, Scott J. Hughes, Xavier Lucas et al. · Angewandte Chemie International Edition · 2019 · 235 citations · Full text

, , +17

Antiulcer Agents. 6. Analysis of the in Vitro Biochemical and in Vivo Gastric Antisecretory Activity of Substituted Imidazo[1,2-<i>a</i>]pyridines and Related Analogues Using Comparative Molecular Field Analysis and Hypothetical Active Site Lattice Methodologies

James J. Kaminski, Arthur M. Doweyko · Journal of Medicinal Chemistry · 1997 · 198 citations · Full text

, , +17

1–5 of 186

Authors

1.1K

  1. BE
    Beat Ernst

    University of Basel, Switzerland

    6 publications · 276 citations

    6

    h-index

  2. JL
    John L. Magnani

    GlycoMimetics (United States), United States

    5 publications · 258 citations

    5

    h-index

  3. JP
    James P. Snyder

    Emory University, United States

    4 publications · 136 citations

    4

    h-index

  4. TP
    Thomas Peters

    University of Lübeck, Germany

    3 publications · 201 citations

    3

    h-index

  5. VJ
    Victor J. Hruby

    University of Arizona, United States

    3 publications · 175 citations

    3

    h-index

1–5 of 1.1K

Institutions

265

  1. Novartis (Switzerland)

    Basel, Switzerland

    8 h-index

    25 publications

    966 citations

  2. Centre National de la Recherche Scientifique

    Paris, France

    8 h-index

    38 publications

    2.5K citations

  3. University of Basel

    Basel, Switzerland

    5 h-index

    17 publications

    632 citations

  4. National Institutes of Health

    Bethesda, United States

    4 h-index

    10 publications

    613 citations

  5. Chinese Academy of Sciences

    Beijing, China

    4 h-index

    9 publications

    299 citations

  6. University of Arizona

    Tucson, United States

    4 h-index

    23 publications

    566 citations

  7. University of Milan

    Milan, Italy

    4 h-index

    9 publications

    275 citations

  8. Centro de Investigaciones Biológicas Margarita Salas

    Madrid, Spain

    3 h-index

    10 publications

    525 citations

1–8 of 265

Venues

  1. Journal of Medicinal Chemistry

    34 publications · 1.8K citations

    24

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 12 publications · 956 citations

    12

    h-index

  3. Journal of the American Chemical Society

    JACS · 11 publications · 557 citations

    11

    h-index

  4. Bioorganic & Medicinal Chemistry

    8 publications · 197 citations

    8

    h-index

  5. Angewandte Chemie International Edition

    7 publications · 542 citations

    7

    h-index

1–5