Concepedia

Inhibitor Complex Modeling

Inhibitor Complex Modeling is a computational or structural modeling approach that characterizes the formation, stability, and functional impact of protein-protein interaction complexes in the presence of inhibitory molecules, distinguishing itself by explicitly integrating the molecular mechanisms and binding dynamics of inhibitors that disrupt or modulate these interactions.

132

Publications

5.3K

Citations

711

Authors

275

Institutions

Publications per year

2017–2026

31

Parents

Publications

132

A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site

M. Katharine Holloway, Jenny Wai, Thomas A. Halgren et al. · Journal of Medicinal Chemistry · 1995 · 229 citations · Full text

, , +17

Carbonic Anhydrase Inhibitors:  X-ray and Molecular Modeling Study for the Interaction of a Fluorescent Antitumor Sulfonamide with Isozyme II and IX

Vincenzo Alterio, Rosa Maria Vitale, Simona Maria Monti et al. · Journal of the American Chemical Society · 2006 · 203 citations

, , +15

Multi-spectroscopic approaches and molecular simulation research of the intermolecular interaction between the angiotensin-converting enzyme inhibitor (ACE inhibitor) benazepril and bovine serum albumin (BSA)

Baoli Wang, Dong‐Qi Pan, Kaili Zhou et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2018 · 195 citations

, , +17

Apo and Inhibitor Complex Structures of BACE (β-secretase)

Sahil Patel, Laurent Vuillard, Anne Cleasby et al. · Journal of Molecular Biology · 2004 · 180 citations

, , +11

Structural basis for serpin inhibitor activity

H.T. Wright, J.N. Scarsdale · Proteins Structure Function and Bioinformatics · 1995 · 154 citations

, , +16

1–5 of 132

Authors

711

  1. JF
    Jindřich Fanfrlík

    Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry, Czechia

    3 publications · 151 citations

    3

    h-index

  2. PH
    Pavel Hobza

    Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry, Czechia

    3 publications · 151 citations

    3

    h-index

  3. SP
    Somayeh Pirhadi

    Shiraz University of Medical Sciences, Iran

    2 publications · 41 citations

    2

    h-index

  4. TD
    Tahereh Damghani

    Shiraz University of Medical Sciences, Iran

    2 publications · 41 citations

    2

    h-index

  5. CT
    Claudiu T. Supuran

    University of Florence, Italy

    2 publications · 218 citations

    2

    h-index

1–5 of 711

Institutions

275

  1. Centre National de la Recherche Scientifique

    Paris, France

    5 h-index

    18 publications

    682 citations

  2. Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry

    Prague, Czechia

    4 h-index

    16 publications

    790 citations

  3. Universidade Federal do Rio de Janeiro

    Rio de Janeiro, Brazil

    4 h-index

    7 publications

    94 citations

  4. Palacký University Olomouc

    Olomouc, Czechia

    3 h-index

    6 publications

    262 citations

  5. Jilin University

    Changchun, China

    3 h-index

    19 publications

    308 citations

  6. Max Planck Institute of Biochemistry

    Martinsried, Germany

    3 h-index

    15 publications

    1.2K citations

  7. Universidade de Brasília

    Brasília, Brazil

    2 h-index

    3 publications

    83 citations

  8. National Institute of Pharmaceutical Education and Research

    Hyderabad, India

    2 h-index

    5 publications

    112 citations

1–8 of 275

Venues

  1. Journal of Molecular Biology

    JMB · 6 publications · 431 citations

    6

    h-index

  2. Bioorganic & Medicinal Chemistry

    5 publications · 217 citations

    5

    h-index

  3. Biochemistry

    5 publications · 305 citations

    5

    h-index

  4. 5

    h-index

  5. Journal of Medicinal Chemistry

    4 publications · 423 citations

    4

    h-index

1–5