Concepedia

Macrocycle Docking

Macrocycle Docking is a computational method within molecular docking informatics that specifically enables the prediction of binding conformations and affinities of macrocyclic compounds to target biomolecules by accounting for their conformational rigidity, large ring size, and restricted rotational freedom, thereby distinguishing it from general small-molecule docking approaches.

56

Publications

1.8K

Citations

288

Authors

109

Institutions

Publications per year

2017–2026

34

Parents

Publications

56

The Performance of Several Docking Programs at Reproducing Protein–Macrolide-Like Crystal Structures

Alejandro Castro‐Álvarez, Anna M. Costa, Jaume Vilarrasa · Molecules · 2017 · 239 citations · Full text

, , +17

Synthesis, antitubercular activity and docking study of novel cyclic azole substituted diphenyl ether derivatives

Suvarna G. Kini, Anilchandra R. Bhat, Byron Bryant et al. · European Journal of Medicinal Chemistry · 2008 · 97 citations

, , +12

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide

Hiba Alogheli, Gustav Olanders, Wesley Schaal et al. · Journal of Chemical Information and Modeling · 2017 · 84 citations · Full text

, , +17

Lennard-Jones Potential and Dummy Atom Settings to Overcome the AUTODOCK Limitation in Treating Flexible Ring Systems

Stefano Forli, Maurizio Botta · Journal of Chemical Information and Modeling · 2007 · 62 citations

, , +17

Docking Flexible Cyclic Peptides with <i>AutoDock CrankPep</i>

Yuqi Zhang, Michel F. Sanner · Journal of Chemical Theory and Computation · 2019 · 61 citations · Full text

, , +17

1–5 of 56

Authors

288

  1. DS
    Dharam Singh

    Institute of Himalayan Bioresource Technology, India

    3 publications · 54 citations

    3

    h-index

  2. YS
    Y. Sheena Mary

    Fatima Mata National College, India

    2 publications · 65 citations

    2

    h-index

  3. HK
    Hassan Keypour

    Bu-Ali Sina University, Iran

    2 publications · 45 citations

    2

    h-index

  4. MK
    Manish Kumar

    Maharshi Dayanand University, India

    2 publications · 86 citations

    2

    h-index

  5. KL
    Kashmiri Lal

    Guru Jambheshwar University of Science and Technology, India

    2 publications · 74 citations

    2

    h-index

1–5 of 288

Institutions

109

  1. National Institute of Technology Kurukshetra

    Kurukshetra, India

    4 h-index

    10 publications

    234 citations

  2. King Saud University

    Riyadh, Saudi Arabia

    3 h-index

    4 publications

    108 citations

  3. National Research Centre

    Giza, Egypt

    2 h-index

    3 publications

    67 citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    2 h-index

    3 publications

    39 citations

  5. Fatima Mata National College

    Kollam, India

    2 h-index

    3 publications

    80 citations

  6. Trakya University

    Edirne, Türkiye

    2 h-index

    2 publications

    57 citations

  7. University of California, San Francisco

    San Francisco, United States

    2 h-index

    3 publications

    144 citations

  8. Uppsala University

    Uppsala, Sweden

    2 h-index

    6 publications

    459 citations

1–8 of 109

Venues

  1. Journal of Molecular Structure

    16 publications · 335 citations

    14

    h-index

  2. European Journal of Medicinal Chemistry

    4 publications · 164 citations

    4

    h-index

  3. Journal of Computer-Aided Molecular Design

    4 publications · 101 citations

    4

    h-index

  4. Journal of Molecular Modeling

    2 publications · 38 citations

    2

    h-index

  5. Journal of Chemical Information and Modeling

    JCIM · 2 publications · 146 citations

    2

    h-index

1–5