Concepedia

Decoy Set Validation

Decoy Set Validation is a methodological framework in pharmacophore modeling that assesses the reliability and discriminatory power of a pharmacophore hypothesis by evaluating its ability to distinguish known active compounds from a set of presumed inactive decoy molecules.

13

Publications

386

Citations

72

Authors

41

Institutions

Publications per year

2017–2026

4

Parents

Publications

13

DEKOIS: Demanding Evaluation Kits for Objective <i>in Silico</i> Screening — A Versatile Tool for Benchmarking Docking Programs and Scoring Functions

Simon Vogel, Matthias R. Bauer, Frank M. Boeckler · Journal of Chemical Information and Modeling · 2011 · 88 citations

, , +17

A Novel Approach to Decoy Set Generation: Designing a Physical Energy Function Having Local Minima with Native Structure Characteristics

Chen Keasar, Michael Levitt · Journal of Molecular Biology · 2003 · 87 citations · Full text

, , +10

Identification of Important Chemical Features of 11β-Hydroxysteroid Dehydrogenase Type1 Inhibitors: Application of Ligand Based Virtual Screening and Density Functional Theory

Sugunadevi Sakkiah, C. Meganathan, Y. S. Sohn et al. · International Journal of Molecular Sciences · 2012 · 33 citations · Full text

, , +17

Free‐energy function for discriminating the native fold of a protein from misfolded decoys

Satoshi Yasuda, Takashi Yoshidome, Yuichi Harano et al. · Proteins Structure Function and Bioinformatics · 2011 · 30 citations · Full text

, , +17

Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against <i>α</i>-tryptophan synthase from <i>Mycobacterium tuberculosis</i>

Sadia Naz, Umar Farooq, Sara Khan et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 28 citations

, , +17

1–5 of 13

Authors

72

  1. CG
    C. Gopi Mohan

    Amrita Institute of Medical Sciences and Research Centre, India

    2 publications · 25 citations

    2

    h-index

  2. FR
    Fredrick Robin Devadoss Victor Paul Raj

    University of Konstanz, Germany

    1 publications · 25 citations

    1

    h-index

  3. KW
    Keun Woo Lee

    Gyeongsang National University, South Korea

    1 publications · 33 citations

    1

    h-index

  4. JL
    Jerzy Leszczyński

    Jackson State University, United States

    1 publications · 15 citations

    1

    h-index

  5. MS
    Maria Saeed

    University of Karachi, Pakistan

    1 publications · 28 citations

    1

    h-index

1–5 of 72

Institutions

41

  1. Lawrence Berkeley National Laboratory

    Berkeley, United States

    1 h-index

    1 publications

    15 citations

  2. Stanford University

    Stanford, United States

    1 h-index

    1 publications

    87 citations

  3. Taisho Pharmaceutical (Japan)

    Tokyo, Japan

    1 h-index

    1 publications

    30 citations

  4. Chinese Academy of Sciences

    Beijing, China

    1 h-index

    2 publications

    56 citations

  5. United States Nuclear Regulatory Commission

    Rockville, United States

    1 h-index

    1 publications

    15 citations

  6. International Center for Chemical and Biological Sciences

    Karachi, Pakistan

    1 h-index

    2 publications

    56 citations

  7. Annamalai University

    Chidambaram, India

    1 h-index

    1 publications

    33 citations

  8. Guru Ghasidas Vishwavidyalaya

    Bilāspur, India

    1 h-index

    4 publications

    60 citations

1–8 of 41

Venues

  1. 2

    h-index

  2. Chemical Biology & Drug Design

    1 publications · 10 citations

    1

    h-index

  3. 1

    h-index

  4. PLoS ONE

    1 publications · 18 citations

    1

    h-index

  5. 1

    h-index

1–5