Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst
- Autor
- CHEN, I-Jen1 ; FOLOPPE, Nicolas1
[1] Vernalis (R&D) Ltd., Granta Park. Abington, Cambridge CB21 6GB, United Kingdom - Fuente
Journal of chemical information and modeling. 2010, Vol 50, Num 5, pp 822-839, 18 p ; ref : 62 ref
- ISSN
- 1549-9596
- Campo Científico
- Chemistry; Computer science
- Editor
- American Chemical Society, Washington, DC
- País de la publicación
- United States
- Tipo de documento
- Article
- Idioma
- English
- Palabra clave (fr)
- Algorithme réparti Assistance utilisateur Catalyse Compilation Criblage Echantillonnage Etude expérimentale Industrie pharmaceutique Modélisation Médicament Méthode heuristique Orienté aspect Physique moléculaire Protocole expérimental
- Palabra clave (in)
- Distributed algorithm User assistance Catalysis Compilation Screening Sampling Experimental study Pharmaceutical industry Modeling Drug Heuristic method Aspect oriented Molecular physics Experimental protocol
- Palabra clave (es)
- Algoritmo repartido Asistencia usuario Catálisis Compilación Cernido Muestreo Estudio experimental Industria farmacéutica Modelización Medicamento Método heurístico Orientado aspecto Física molecular Protocolo experimental
- Clasificación
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01A Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry / 001C01A03 Catalysis
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D02 Computer science; control theory; systems / 001D02B Software / 001D02B04 Computer systems and distributed systems. User interface
- Disciplina
- Computer science : theoretical automation and systems General chemistry and physical chemistry
- Procedencia
- Inist-CNRS
- Base de datos
- PASCAL
- Identificador INIST
- 22835574
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/ci100026x 
https://dx.doi.org/10.1021/ci100026x
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