Data/hora: 23/09/2024 22:01:20

Biblioteca(s): 	Embrapa Agricultura Digital.	
Tipo da produção científica: 	Resumo em Anais de Congresso	
Data corrente: 	22/12/2015	
Data da última atualização: 	21/01/2020	
Autoria: 	BORRO, L. C.; NESHICH, G.	
Afiliação: 	IB/Unicamp; GORAN NESHICH, CNPTIA.	
Título: 	Ranking optimization in virtual screening using physical-chemical and structural descriptors of the nano-environment for protein-ligand interactions.	
Ano de publicação: 	2015	
Fonte/Imprenta: 	In: SÃO PAULO SCHOOL OF ADVANCED SCIENCES ON NEGLECTED DISEASES DRUG DISCOVERY - FOCUS ON KINETOPLASTIDS, 2015, Campinas. Book of abstracts. [Campinas]: CNPEM, [2015].	
Páginas: 	p. 115.	
Idioma: 	Inglês	
Notas: 	SPSAS-ND3.	
Conteúdo: 	During the last two decades, virtual screening (VS) has become an important tool for rational design of drugs and agrochemicals. However, despite of many successful cases VS approaches still have some limitations, especially regarding the ranking of potential ligands according to their binding affinity. In order to create models that can improve the ranking phase in VS campaigns, we propose an in silico approach to identify features that are important and essential to the molecular recognition process.	
Palavras-Chave: 	Bioinformática; In silico approach; Virtual screening.	
Thesaurus Nal: 	Bioinformatics.	
Categoria do assunto: 	A Sistemas de Cultivo	
Registro original: 	Embrapa Agricultura Digital (CNPTIA)	
Exemplares: 	CNPTIA - (18546-1) - UPC - RA - DD -  -  -  - DIS