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Hierarchical approach to nanodesign rom the system theory viewpointHierarchy of nanosystems’ simulation models are discussed from the viewpoint of the multilevel
New Genetic Bomb Trigger: Design, Synthesis, Molecular Dynamics Simulation, and Biological Evaluation of Novel BIBR1532-Related Analogs Targeting Telomerase against Non-Small Cell Lung Cancer with the telomerase allosteric binding site, molecular docking and molecular dynamics simulations were used. © 2022
Study of the compact denatured state of a protein by molecular dynamics simulation | Issledovanie kompaktnogo denaturirovannogo sostoianiia belka metodom imitatsii molekuliarnoi dinamiki. denatured state, the method of molecular dynamics simulation seems to be very useful.
Molecular dynamics simulation of vibrational relaxation of highly excited molecules in fluids. II. Nonequilibrium simulation of azulene in CO[2] and XeMolecular dynamics simulation of vibrational relaxation of highly excited molecules in fluids. II
Calculation of the Nucleation Barrier and Interfacial Free Energy of New-Phase nuclei by the thermodynamic integration method using molecular dynamics simulation data free energy (surface tension) based on molecular dynamics simulations of structural transformations
Molecular dynamics simulations of the growth of Ge on SiMolecular dynamics simulations of the growth of Ge on Si
First-principles molecular dynamics simulations of single nitrogen bond structures in a N 2 –H 2 system under pressureFirst-principles molecular dynamics simulations of single nitrogen bond structures in a N 2
Dehydrogenation and rehydrogenation of ammonia borane under shock loading: Ab initio molecular dynamics simulations dynamics simulations
An anti-DNA antibody prefers damaged dsDNA over native used Molecular Dynamic simulations of bimolecular complexes of a segment of dsDNA with a monoclonal
An anti-DNA antibody prefers damaged dsDNA over native used Molecular Dynamic simulations of bimolecular complexes of a segment of dsDNA with a monoclonal
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