Concepedia

Docking Protocol Optimization

Docking Protocol Optimization is a computational methodology that systematically refines the parameters, scoring functions, and search algorithms used in molecular docking simulations to enhance the accuracy and efficiency of predicting protein-protein or protein-ligand interaction modes.

71

Publications

4.8K

Citations

324

Authors

145

Institutions

Publications per year

2017–2026

25

Parents

Publications

71

Protein–Protein Docking with Simultaneous Optimization of Rigid-body Displacement and Side-chain Conformations

Jeffrey J. Gray, Stewart Moughon, Chu Wang et al. · Journal of Molecular Biology · 2003 · 1.2K citations

, , +16

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring

Huiyong Sun, Youyong Li, Mingyun Shen et al. · Physical Chemistry Chemical Physics · 2014 · 530 citations

, , +16

eHiTS: A new fast, exhaustive flexible ligand docking system

Zsolt Zsoldos, Darryl Reid, Anikó Simon et al. · Journal of Molecular Graphics and Modelling · 2006 · 250 citations

, , +14

Docking Studies on DNA-Ligand Interactions: Building and Application of a Protocol To Identify the Binding Mode

Clarisse Gravina Ricci, Paulo A. Netz · Journal of Chemical Information and Modeling · 2009 · 216 citations

, , +17

Rosetta Ligand Docking with Flexible XML Protocols

Gordon Lemmon, Jens Meiler · Methods in molecular biology · 2011 · 195 citations · Full text

, , +14

1–5 of 71

Authors

324

  1. AC
    Alberto Cuzzolin

    University of Padua, Italy

    3 publications · 109 citations

    3

    h-index

  2. SM
    Stefano Moro

    University of Padua, Italy

    3 publications · 109 citations

    3

    h-index

  3. AR
    Andrea R. Beccari

    Dompé (Italy), Italy

    2 publications · 43 citations

    2

    h-index

  4. MR
    Muhammad Raffey Shabbir

    Balochistan University of Information Technology, Engineering and Management Sciences, Pakistan

    2 publications · 51 citations

    2

    h-index

  5. SG
    Silvia Gervasoni

    University of Milan, Italy

    2 publications · 43 citations

    2

    h-index

1–5 of 324

Institutions

145

  1. Technical University of Munich

    Munich, Germany

    4 h-index

    11 publications

    199 citations

  2. University of Padua

    Padua, Italy

    3 h-index

    11 publications

    410 citations

  3. Scripps Research Institute

    San Diego, United States

    3 h-index

    5 publications

    581 citations

  4. Universitat Politècnica de Catalunya

    Barcelona, Spain

    3 h-index

    13 publications

    343 citations

  5. University of Milan

    Milan, Italy

    3 h-index

    10 publications

    409 citations

  6. University of Washington

    Seattle, United States

    2 h-index

    9 publications

    8.4K citations

  7. Paderborn University

    Paderborn, Germany

    2 h-index

    2 publications

    51 citations

  8. Howard Hughes Medical Institute

    Chevy Chase, United States

    2 h-index

    8 publications

    8.3K citations

1–8 of 145

Venues

  1. Journal of Computer-Aided Molecular Design

    7 publications · 320 citations

    7

    h-index

  2. Journal of Chemical Information and Modeling

    JCIM · 6 publications · 445 citations

    6

    h-index

  3. Journal of Molecular Graphics and Modelling

    7 publications · 401 citations

    6

    h-index

  4. Molecules

    6 publications · 238 citations

    6

    h-index

  5. 3

    h-index

1–5