Glide: A new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
- Author
- FRIESNER, Richard A1 ; BANKS, Jay L2 ; SHAW, David E4 ; FRANCIS, Perry3 ; SHENKIN, Peter S2 ; MURPHY, Robert B2 ; HALGREN, Thomas A2 ; KLICIC, Jasna J2 ; MAINZ, Daniel T2 ; REPASKY, Matthew P2 ; KNOLL, Eric H1 ; SHELLEY, Mee3 ; PERRY, Jason K3
[1] Department of Chemistry, Columbia University, New York, New York 10036, United States
[2] Schrödinger, L.L.C., 120 W. 45th Street, New York, New York 10036, United States
[3] Schrödinger, L.L.C., 1500 SW First Avenue, Portland, Oregon 97201, United States
[4] D. E. Shaw Research and Development, 120 W. 45th Street, New York, New York 10036, United States - Source
Journal of medicinal chemistry (Print). 2004, Vol 47, Num 7, pp 1739-1749, 11 p
- CODEN
- JMCMAR
- ISSN
- 0022-2623
- Scientific domain
- Pharmacology drugs
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Chimie combinatoire Chimiothèque Conformation Energie interaction Ligand Mode liaison Modèle moléculaire Modélisation Prédiction Relation structure activité Thymidine kinase Docking Scoring function Enzyme Transferases
- Keyword (en)
- Combinatorial chemistry Chemical compound library Conformation Interaction energy Ligand Binding mode Molecular model Modeling Prediction Structure activity relation Thymidine kinase Enzyme Transferases
- Keyword (es)
- Química combinatoria Quimioteca Conformación Energía interacción Ligando Modo de enlace Modelo molecular Modelización Predicción Relación estructura actividad Thymidine kinase Enzima Transferases
- Classification
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02W Miscellaneous
- Discipline
- General pharmacology
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 15599156
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1021/jm0306430 
https://dx.doi.org/10.1021/jm0306430
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