RESUMO
MOTIVATION: The SEABED web server integrates a variety of docking and QSAR techniques in a user-friendly environment. SEABED goes beyond the basic docking and QSAR web tools and implements extended functionalities like receptor preparation, library editing, flexible ensemble docking, hybrid docking/QSAR experiments or virtual screening on protein mutants. SEABED is not a monolithic workflow tool but Software as a Service platform. AVAILABILITY AND IMPLEMENTATION: SEABED is a free web server available at http://www.bsc.es/SEABED.
Assuntos
Desenho de Fármacos , Descoberta de Drogas/métodos , Simulação de Acoplamento Molecular/métodos , Proteínas/metabolismo , Relação Quantitativa Estrutura-Atividade , Bibliotecas de Moléculas Pequenas/farmacologia , Software , Bases de Dados Factuais , Humanos , Mutação/genética , Biblioteca de Peptídeos , Estrutura Terciária de Proteína , Proteínas/química , Proteínas/genética , Bibliotecas de Moléculas Pequenas/química , Fluxo de TrabalhoRESUMO
SUMMARY: DNAlive is a tool for the analysis and graphical display of structural and physical characteristics of genomic DNA. The web server implements a wide repertoire of metrics to derive physical information from DNA sequences with a powerful interface to derive 3D information on large sequences of both naked and protein-bound DNAs. Furthermore, it implements a mesoscopic Metropolis code which allows the inexpensive study of the dynamic properties of chromatin fibers. In addition, our server also surveys other protein and genomic databases allowing the user to combine and explore the physical properties of selected DNA in the context of functional features annotated on those regions. AVAILABILITY: http://mmb.pcb.ub.es/DNAlive/ ; http://www.inab.org/
