Ligand-Optimized Homology Models of D1 and D2 Dopamine Receptors: Application for Virtual Screening
- Author
- KOLACZKOWSKI, Marcin1 2 ; BUCKI, Adam1 ; FEDER, Marcin2 ; PAWLOWSKI, Maciej1
[1] Department of Pharmaceutical Chemistry, Jagiellonian University Collegium Medicum, 9 Medyczna Street, 30-688 Kraków, Poland
[2] R&D Department, Adamed Ltd., Pienków 149, 05-152 Czosnów, Poland - Source
Journal of chemical information and modeling. 2013, Vol 53, Num 3, pp 638-648, 11 p ; ref : 43 ref
- ISSN
- 1549-9596
- Scientific domain
- Chemistry; Computer science
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Algorithme évolutionniste Chimie informatique Conformation Criblage virtuel Disponibilité Efficacité Etude comparative Homologie Industrie pharmaceutique Ligand Modélisation Méthode raffinement Optimisation Physique moléculaire Protéine G Protéine transmembranaire Récepteur biologique Récepteur couplé protéine G Site fixation
- Keyword (en)
- Evolutionary algorithm Computational chemistry Conformation Virtual screening Availability Efficiency Comparative study Homology Pharmaceutical industry Ligand Modeling Refinement method Optimization Molecular physics G protein Transmembrane protein Biological receptor G protein coupled receptor Binding site
- Keyword (es)
- Algoritmo evoluciónista Química informática Conformación Cribado virtual Disponibilidad Eficacia Estudio comparativo Homología Industria farmacéutica Ligando Modelización Método afinamiento Optimización Física molecular Proteína G Proteína transmembranar Receptor biológico Receptor acoplado proteína G Sitio fijación
- Classification
- 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 / 001C01A01 General. Nomenclature, chemical documentation, computer chemistry
- Pascal
- 002 Biological and medical sciences / 002A Fundamental and applied biological sciences. Psychology / 002A04 Molecular and cellular biology / 002A04F Cell structures and functions / 002A04F03 Cell receptors
- Pascal
- 002 Biological and medical sciences / 002A Fundamental and applied biological sciences. Psychology / 002A04 Molecular and cellular biology / 002A04H Cell physiology / 002A04H01 Cell metabolism, cell oxidation
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02A General pharmacology / 002B02A03 Pharmaceutical technology. Pharmaceutical industry
- Discipline
- General chemistry and physical chemistry General pharmacology Molecular and cell biology
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 27205188
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/ci300413h 
https://dx.doi.org/10.1021/ci300413h
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