Search
Now showing items 1-3 of 3
Estudo teórico de propriedades estruturais e elétricas de filmes automontados de moléculas orgânicas
(Universidade Federal de São Carlos, 2014-11-21)
Compact models of ionized and nonionized Langmuir monolayers of stearic acid adsorbed on the water were simulated by means of atomistic molecular dynamics. The electrostatic, structural and dynamic properties of the molecules ...
Estudo do efeito isotópico sobre a solubilidade da 3- metilpiridina em H2O e D2O
(Universidade Federal de São Carlos, 2012-12-07)
Experimental studies of 3-methylpiridyne/water and 3- methylpiridyne/heavy water binary mixtures show solubility differences. In this work Molecular Dynamics method was used to simulate 54 model systems. Each system ...
Análise da interação molecular proteína-herbicida através de simulação computacional: aplicação no desenvolvimento de nanobiossensores
(Universidade Federal de São Carlos, 2013-04-29)
In this study, our goal was evaluate the interactive forces between the Atomic force microscope tip (AFM tip) and an important enzyme responsible to fatty acids synthesis in all living beings (Acetyl CoA Carboxylase - fic ...