Molecular mechanics methods for predicting protein-ligand binding
- Author
- NIU HUANG1 ; KALYANARAMAN, Chakrapani1 ; BERNACKI, Katarzyna1 ; JACOBSON, Matthew P1
[1] Department of Pharmaceutical Chemistry, University of California San Francisco, UCSF MC 2240, Genentech Hall, Room N472C, 600 16th St, San Francisco, CA 94158-2517, United States - Source
PCCP. Physical chemistry chemical physics (Print). 2006, Vol 8, Num 44, pp 5166-5177, 12 p ; ref : 80 ref
- Publisher
- Royal Society of Chemistry, Cambridge
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Keyword (fr)
- Affinité Article synthèse Base donnée Chimie Energie liaison Energie libre Etude théorique Liaison Modèle Méthode Monte Carlo Méthode calcul Méthode dynamique moléculaire Protéine Prédiction 3115Q Propriété thermodynamique
- Keyword (en)
- Affinity Review Database Chemistry Binding energy Free energy Theoretical study Binding Models Monte Carlo method Computing method Molecular dynamics method Protein Prediction Thermodynamic properties
- Keyword (es)
- Afinidad Artículo síntesis Base dato Química Energía enlace Energía libre Estudio teórico Enlace Modelo Método Monte Carlo Método cálculo Método dinámico molecular Proteína Predicción Propiedad termodinámica
- Classification
- Discipline
- General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 18324072
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
10.1039/B608269F 
https://dx.doi.org/10.1039/B608269F
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