Sentence examples for molecular modeling approaches from inspiring English sources
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.
Experimental high-throughput methods, assisted by robotics, image analysis, and bioinformatics, have been used in the drug industry for quite a while, and current screening tests for drug efficacy and toxicity regularly involve genomic, proteomic, and molecular modeling approaches.
In this work, multi-scale molecular modeling approaches were performed and it is found that oxazolone and imidazolone derivatives reveal similar/better interaction energy profiles compared to the FDA approved sartan molecules at the binding site of the AT1 receptor.
We argue that thanks to molecular modeling approaches, many thermodynamic properties required in Food Science and Food Engineering will be calculable within a few hours from first principles in a near future.
A mechanistic hydrolysis model was developed using stochastic molecular modeling approach.
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.
