Concepedia

Molecular Docking Informatics

Molecular Docking Informatics is a specialized field within Pharmacoinformatics that focuses on the computational modeling and analysis of molecular interactions between ligands and target macromolecules to predict binding affinities and optimal orientations in silico.

449

Publications

16.9K

Citations

2.7K

Authors

918

Institutions

Publications per year

2017–2026

346

Parents

Children

Publications

449

DOCK 6: Impact of new features and current docking performance

William J. Allen, Trent E. Balius, Sudipto Mukherjee et al. · Journal of Computational Chemistry · 2015 · 839 citations

, , +17

FRED and HYBRID docking performance on standardized datasets

Mark McGann · Journal of Computer-Aided Molecular Design · 2012 · 515 citations

, , +10

Development and validation of a modular, extensible docking program: DOCK 5

Demetri T. Moustakas, P. Therese Lang, Scott C.‐H. Pegg et al. · Journal of Computer-Aided Molecular Design · 2006 · 438 citations

, , +8

Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment

Irina Kufareva, Manuel Rueda, Vsevolod Katritch et al. · Structure · 2011 · 285 citations · Full text

, , +11

Surflex-Dock: Docking benchmarks and real-world application

Russell Spitzer, Ajay N. Jain · Journal of Computer-Aided Molecular Design · 2012 · 279 citations

, , +10

1–5 of 449

Authors

2.7K

  1. AN
    Anuraj Nayarisseri

    Alagappa University, India

    4 publications · 115 citations

    4

    h-index

  2. DS
    Deepak Sharma

    Bhabha Atomic Research Centre, India

    4 publications · 119 citations

    4

    h-index

  3. DK
    Dharmendra Kumar Maurya

    Bhabha Atomic Research Centre, India

    4 publications · 119 citations

    4

    h-index

  4. ID
    Irwin D. Kuntz

    University of California, San Francisco, United States

    4 publications · 1.4K citations

    4

    h-index

  5. MK
    Michael K. Gilson

    University of California San Diego, United States

    3 publications · 501 citations

    3

    h-index

1–5 of 2.7K

Institutions

918

  1. King Saud University

    Riyadh, Saudi Arabia

    16 h-index

    38 publications

    1.2K citations

  2. Chinese Academy of Medical Sciences & Peking Union Medical College

    Beijing, China

    13 h-index

    76 publications

    1.9K citations

  3. Beijing University of Chinese Medicine

    Beijing, China

    11 h-index

    63 publications

    1.2K citations

  4. Shanghai Jiao Tong University

    Shanghai, China

    7 h-index

    21 publications

    392 citations

  5. Chinese Academy of Sciences

    Beijing, China

    7 h-index

    24 publications

    709 citations

  6. National Research Centre

    Giza, Egypt

    7 h-index

    14 publications

    387 citations

  7. University of California, San Francisco

    San Francisco, United States

    7 h-index

    20 publications

    4.5K citations

  8. University of Brawijaya

    Malang, Indonesia

    7 h-index

    31 publications

    471 citations

1–8 of 918

Venues

  1. Molecules

    16 publications · 576 citations

    15

    h-index

  2. Journal of Molecular Structure

    15 publications · 518 citations

    14

    h-index

  3. Journal of Biomolecular Structure and Dynamics

    13 publications · 385 citations

    13

    h-index

  4. Bioorganic Chemistry

    12 publications · 515 citations

    12

    h-index

  5. Journal of Computer-Aided Molecular Design

    13 publications · 2K citations

    12

    h-index

1–5