„molecular dynamic simulation“
Suchergebnisse
1.000+ Treffer
-
Lanthanoids (III) and actinoids (III) in water: Diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations
-
Compressive deformation mechanism of equiatomic nickel copper alloy with faceted grain boundary: molecular dynamics simulations
-
Gaining insight into crizotinib resistance mechanisms caused by L2026M and G2032R mutations in ROS1 via molecular dynamics simulations and free-energy calculations
-
Molecular dynamics simulation of effect of glycerol monostearate on amorphous polyethylene in the presence of water
-
Investigation of the morphological transition of a phospholipid bilayer membrane in an external electric field via molecular dynamics simulation
-
Combination of anti-hypertensive drugs: a molecular dynamics simulation study
-
Methylation-targeted specificity of the DNA binding proteins R.DpnI and MeCP2 studied by molecular dynamics simulations
-
Investigation of the self-assembly of CS and PCL copolymers with different molecular weights in water solution by coarse-grained molecular dynamics simulation
-
Adsorption of dihalogen molecules on pristine graphene surface: Monte Carlo and molecular dynamics simulation studies
-
Molecular dynamics simulations of the first charge of a Li-ion—Si-anode nanobattery
-
Mutations in catalase-peroxidase KatG from isoniazid resistant Mycobacterium tuberculosis clinical isolates: insights from molecular dynamics simulations
-
Molecular dynamics simulations and molecular flooding studies of the retinoid X-receptor ligand binding domain
-
Investigation of the encapsulation of metal cations (Cu2+, Zn2+, Ca2+ and Ba2+) by the dipeptide Phe–Phe using natural bond orbital theory and molecular dynamics simulation
-
Molecular dynamics simulation studies of the ε-CL-20/HMX co-crystal-based PBXs with HTPB
-
Molecular dynamics simulation studies of gold nano-cluster on silicon (001) surface
-
Molecular insights on analogs of imidazo[1,2-a]pyridine, azaindole, and pyridylurea towards ParE using pharmacophore modeling, molecular docking, and dynamic simulation
-
Molecular dynamics simulation of anionic pentaglycine at water–pyrite interface
-
Theoretical insights into the effects of molar ratios on stabilities, mechanical properties, and detonation performance of CL-20/HMX cocrystal explosives by molecular dynamics simulation
-
Investigation of graphene-based nanomaterial as nanocarrier for adsorption of paclitaxel anticancer drug: a molecular dynamics simulation study
-
Conformational studies of new pseudotripeptide with pyrazine amidoxime motif and simplified analogs using IR, NMR spectroscopy, and molecular dynamic simulations