Sentence examples for molecular modelling approaches from inspiring English sources
Moreover, our results, combined with molecular modelling approaches, indicated that the FS2 cluster is the main gate for electron transfer from reduced ferredoxin.
The building of parameters that are necessary for simulation, mainly using molecular modelling approaches and the challenges related with scales description and the way a continuous understanding becomes probably possible in the future between all the scales.
The further exploration of modern molecular modelling approaches may ultimately allow us to judge upon the relative importance of certain Pleistocene climate changes for the development of the biogeographic pattern that we can observe today.
Using molecular modelling approaches, we demonstrated that conformational changes include an elongation and torsion of an α -helix structure and displacement to the inside of the pocket of one β -sheet that hinders access of colchicine.
Molecular modelling approaches and docking studies, used to investigate inhibitory profiles, indicated that trifluoromethyl substitutions of the aryl group and the benzene ring present at the oxygen side of the carbamate molecule had a significant impact on the activity.
Molecular modelling approaches predict that Lys-linked diUb exists in an open conformation and cannot adopt a compact conformation due to steric occlusion [ 35].
We are engaged in the design and development of selective reagents for beneficiation of iron ores based on a molecular modelling approach.
A further molecular modelling approach allowed us to obtain a molecular electrostatic potential feature which suggests a suitable interaction with the receptor site of the BK channel, from a tri-dimensional point of view.
Here optimized molecular modeling approaches were used to provide a structural scaffold of TAG.
Thus, different molecular modeling approaches in simulation of molecular behavior for a specific biological target were employed.
In this chapter, the application QSAR and molecular modeling approaches in the design and development of inhibitors of various viral proteases is discussed.
