Concepedia

Productive Binding Poses

Productive Binding Poses is a computational method in molecular docking that identifies ligand conformations capable of forming energetically favorable and biologically functional interactions with a target protein, distinguishing itself by prioritizing poses that lead to measurable biological activity over those with mere structural complementarity.

11

Publications

399

Citations

57

Authors

30

Institutions

Publications per year

2017–2026

2

Parents

Publications

11

Different Poses for Ligand and Chaperone in Inhibitor-Bound Hsp90 and GRP94: Implications for Paralog-Specific Drug Design

Robert M. Immormino, Louis E. Metzger, Patrick N. Reardon et al. · Journal of Molecular Biology · 2009 · 67 citations · Full text

, , +16

Mechanistically informed predictions of binding modes for carbocation intermediates of a sesquiterpene synthase reaction

Terrence E. O’Brien, Steve J. Bertolani, Dean J. Tantillo et al. · Chemical Science · 2016 · 58 citations · Full text

, , +17

Predicting Productive Binding Modes for Substrates and Carbocation Intermediates in Terpene Synthases—Bornyl Diphosphate Synthase As a Representative Case

Terrence E. O’Brien, Steven J. Bertolani, Yue Zhang et al. · ACS Catalysis · 2018 · 52 citations

, , +17

Concurrent Cooperativity and Substrate Inhibition in the Epoxidation of Carbamazepine by Cytochrome P450 3A4 Active Site Mutants Inspired by Molecular Dynamics Simulations

Christian S. G. Müller, Tim Knehans, Dmitri R. Davydov et al. · Biochemistry · 2014 · 48 citations · Full text

, , +17

Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted docking

P. Benjamin Juhl, Peter Trodler, Sadhna Tyagi et al. · BMC Structural Biology · 2009 · 42 citations · Full text

, , +17

1–5 of 11

Authors

57

  1. DJ
    Dean J. Tantillo

    University of California, Davis, United States

    2 publications · 110 citations

    2

    h-index

  2. TE
    Terrence E. O’Brien

    University of California, Davis, United States

    2 publications · 110 citations

    2

    h-index

  3. YZ
    Yue Zhang

    Tianjin University, China

    1 publications · 52 citations

    1

    h-index

  4. DR
    Dmitri R. Davydov

    Institute of Biomedical Chemistry, Russia

    1 publications · 48 citations

    1

    h-index

  5. JB
    Jason B. Siegel

    University of Michigan, United States

    1 publications · 58 citations

    1

    h-index

1–5 of 57

Institutions

30

  1. University of California, Davis

    Davis, United States

    2 h-index

    9 publications

    492 citations

  2. Ruijin Hospital

    Shanghai, China

    1 h-index

    1 publications

    13 citations

  3. Shanghai Institutes for Biological Sciences

    Shanghai, China

    1 h-index

    2 publications

    26 citations

  4. Xi'an Jiaotong University

    Xi'an, China

    1 h-index

    3 publications

    84 citations

  5. University of Montana

    Missoula, United States

    1 h-index

    2 publications

    96 citations

  6. National Institute of Chemistry

    Ljubljana, Slovenia

    1 h-index

    9 publications

    288 citations

  7. Russian Academy of Sciences

    Moscow, Russia

    1 h-index

    1 publications

    48 citations

  8. Pliva (Croatia)

    Zagreb, Croatia

    1 h-index

    9 publications

    288 citations

1–8 of 30

Venues

  1. Journal of Molecular Liquids

    1 publications · 19 citations

    1

    h-index

  2. Journal of Molecular Graphics and Modelling

    1 publications · 28 citations

    1

    h-index

  3. Journal of Molecular Biology

    JMB · 1 publications · 67 citations

    1

    h-index

  4. FEBS Journal

    1 publications · 13 citations

    1

    h-index

  5. Chemical Science

    1 publications · 58 citations

    1

    h-index

1–5