Concepedia

Pharmacophore Alignment

Pharmacophore Alignment is a computational geometric optimization procedure in pharmacophore modeling that determines the rotation, translation, and optionally conformational adjustment of pharmacophore models or ligands so as to maximize the spatial overlap of corresponding pharmacophoric features within predefined tolerances.

117

Publications

5.3K

Citations

497

Authors

162

Institutions

Publications per year

2017–2026

11

Parents

Children

Publications

117

A genetic algorithm for flexible molecular overlay and pharmacophore elucidation

Gareth Jones, Peter Willett, Robert C. Glen · Journal of Computer-Aided Molecular Design · 1995 · 392 citations

, , +16

PharmaGist: a webserver for ligand-based pharmacophore detection

Dina Schneidman‐Duhovny, Orit Dror, Yoel Inbar et al. · Nucleic Acids Research · 2008 · 318 citations · Full text

, , +17

Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring

G. Madhavi Sastry, Steven L. Dixon, Woody Sherman · Journal of Chemical Information and Modeling · 2011 · 245 citations

, , +17

Antiulcer Agents. 6. Analysis of the in Vitro Biochemical and in Vivo Gastric Antisecretory Activity of Substituted Imidazo[1,2-<i>a</i>]pyridines and Related Analogues Using Comparative Molecular Field Analysis and Hypothetical Active Site Lattice Methodologies

James J. Kaminski, Arthur M. Doweyko · Journal of Medicinal Chemistry · 1997 · 198 citations · Full text

, , +17

Flexible Alignment of Small Molecules

Paul Labute, Chris Williams, Miklós Fehér et al. · Journal of Medicinal Chemistry · 2001 · 193 citations

, , +11

1–5 of 117

Authors

497

  1. MS
    Mariam S. Degani

    Institute of Chemical Technology, India

    3 publications · 100 citations

    3

    h-index

  2. RT
    Robin Taylor

    Cambridge Crystallographic Data Centre, United Kingdom

    3 publications · 100 citations

    3

    h-index

  3. DR
    Didier Rognan

    Centre National de la Recherche Scientifique, France

    3 publications · 229 citations

    3

    h-index

  4. PW
    Peter Willett

    University of Sheffield, United Kingdom

    3 publications · 610 citations

    3

    h-index

  5. EP
    Ewgenij Proschak

    Goethe University Frankfurt, Germany

    3 publications · 84 citations

    3

    h-index

1–5 of 497

Institutions

162

  1. University of Sheffield

    Sheffield, United Kingdom

    6 h-index

    16 publications

    1.5K citations

  2. University of Mumbai

    Mumbai, India

    5 h-index

    14 publications

    419 citations

  3. Goethe University Frankfurt

    Frankfurt am Main, Germany

    4 h-index

    26 publications

    722 citations

  4. Centre National de la Recherche Scientifique

    Paris, France

    4 h-index

    12 publications

    900 citations

  5. Institute of Chemical Technology

    Mumbai, India

    4 h-index

    11 publications

    329 citations

  6. University of Illinois Chicago

    Chicago, United States

    4 h-index

    11 publications

    350 citations

  7. Université de Strasbourg

    Strasbourg, France

    3 h-index

    10 publications

    862 citations

  8. University of Siena

    Siena, Italy

    3 h-index

    18 publications

    848 citations

1–8 of 162

Venues

  1. Journal of Chemical Information and Modeling

    JCIM · 16 publications · 1.1K citations

    14

    h-index

  2. Journal of Computer-Aided Molecular Design

    12 publications · 1.1K citations

    12

    h-index

  3. Journal of Medicinal Chemistry

    12 publications · 697 citations

    11

    h-index

  4. 9

    h-index

  5. Bioorganic & Medicinal Chemistry Letters

    6 publications · 136 citations

    6

    h-index

1–5