Buscar
Mostrando ítems 21-30 de 1085
A coarse-grained approach to studying the interactions of the antimicrobial peptides aurein 1.2 and maculatin 1.1 with POPG/POPE lipid mixtures
(Springer, 2018-08)
In the present work we investigated the differential interactions of the antimicrobial peptides (AMPs) aurein 1.2 and maculatin 1.1 with a bilayer composed of a mixture of the lipids 1-palmitoyl-2-oleoyl-sn-glycero-3-pho ...
Force fields for coarse-grained molecular simulations from a corresponding states correlation
(AMERICAN CHEMICAL SOCIETY, 2014)
Vapor pressure of aqueous solutions of electrolytes reproduced with coarse-grained models without electrostatics
(American Chemical Society, 2016-05)
The vapor pressure of water is a key property in a large class of applications from the design of membranes for fuel cells and separations to the prediction of the mixing state of atmospheric aerosols. Molecular simulations ...
Macro-Micromechanical Properties of Sandy Pebble Soil of Different Coarse-Grained Content
(Universidad Nacional de Colombia - Sede Bogotá - Facultad de Ciencias - Departamento de Geociencia, 2018-01-01)
Sandy pebble stratum is a typical discrete particle unstable stratum, mainly consisting of sand and pebble. However, the effect of coarse-grained content on the stability of stratum is not clear. This paper defined the ...
Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-gamma Mie force field
(2018)
This work reports the award-winning entry for the Ninth Industrial Fluid Properties Simulation Challenge. This worldwide competition was set with the aim of assessing the capability of molecular simulation methods and force ...
Desenvolvimento de um campo de força “coarsegrain” para carboidratos
(Universidade Federal de Pernambuco, 2015)
Physical Interactions Driving the Activation/Inhibition of Calcium/Calmodulin Dependent Protein Kinase II
(Elsevier Science Inc., 2021-06)
CaMKII is a protein kinase whose function is regulated by the binding of the Calcium/Calmodulin complex (Ca2+ /CaM). It is a major player in the Long Term Potentiation process where it acts as a molecular switch, oscillating ...