Sentence examples for molecular dynamics we from inspiring English sources
With steered molecular dynamics, we probe the stability of the protein-protein complex Barnase-Barstar.
Using all-atom molecular dynamics, we study the temperature-induced dissociation of Aβ monomers from the fibril protofilament.
Indeed in coarse-grained molecular dynamics we showed they readily integrate in the assembled aggregates providing "molecular connections" among otherwise weakly paired β-structures.
Using accelerated molecular dynamics, we demonstrate that cooling kinetics during synthesis exercises significant control over the reaction pathways, and consequently, over nucleation and growth of carbon nanostructures.
By molecular docking and molecular dynamics, we found the electrostatic field had the greatest influence on the residues ASN722 and THR718 in the DNA minor groove and the molecular structure should be planarized and appropriate in this region.
In this work, using Non Equilibrium Molecular Dynamics, we calculated thermal conductance of alkyl chains used as molecular junctions between two graphene nanoribbons, both as covalently bound and as Van der Waals interdigitated chains.
Using action-derived molecular dynamics (ADMD), we study the dynamic folding pathway models of the Trp-cage protein by providing its sequential conformational changes from its initial disordered structure to the final native structure at atomic details.
Following observations provided by molecular dynamics simulation, we explore the hypothesis of interaction of these arginines with acidic residues, and using site-directed mutagenesis, we identified aspartate D307 and glutamate E308 residues as critical for the function of ICCRs.
Using molecular dynamics simulations, we studied the structure, interhelix interactions, and dynamics of transmembrane proteins.
Guided by molecular dynamics simulations, we previously designed first-in-class M2-V27A inhibitors.
Through 2.1-μs molecular dynamics simulations, we investigate the kinetics of flow-induced β-hairpin folding.
