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2013Applications of docking and molecular dynamic studies on the search for new drugs against the biological warfare agents Bacillus anthracis and Yersinia pestisFrança, Tanos Celmar Costa; Guimarães, Ana Paula; Cortopassi, Wilian Augusto; Oliveira, Aline Alves; Ramalho, Teodorico Castro
2014Computational evidence for the reactivation process of human acetylcholinesterase inhibited by carbamatesMatos, Karina Silva; Cunha, Elaine F. F. da; Abagyan, Ruben; Ramalho, Teodorico C.
2014Computer-assisted design of novel 1,4-dihydropyridine calcium channel blockersMota, Estella G. da; Silva, Daniel G.; Guimarães, Maria C.; Cunha, Elaine F. F. da; Freitas, Matheus P.
2011Docking studies and effects of syn-anti isomery of oximes derived from pyridine imidazol bicycled systems as potential human acetylcholinesterase reactivatorsGuimarães, Ana Paula; França, Tanos Celmar Costa; Ramalho, Teodorico Castro; Rennó, Magdalena Nascimento; Matos, Karina Silvia; Mancini, Daiana Teixeira; Kuča, Kamil
2015Exploring structure-based drug design for the development of multi-target antihypertensivesMota, Estella G. da; Cunha, Elaine F. F. da; Freitas, Matheus P.
Nov-2022In silico modeling of the AHAS inhibition of an augmented series of pyrimidine herbicides and design of novel derivativesFaria, Adriana C. de; Daré, Joyce K.; Cunha, Elaine F. F. da; Freitas, Matheus P.
Jul-2020In silico studies on therapeutic agents for COVID-19: drug repurposing approachShah, Bhumi; Modi, Palmi; Sagar, Sneha R.
Jul-2015Theoretical design of new indole-3-carboxamide derivatives as renin inhibitorsMota, Estella G. da; Duarte, Mariene H.; Cunha, Elaine F. F. da; Freitas, Matheus P.