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Molecular dynamics simulation of carbon nanotube arrays responses on mechanical and electrical high frequency forces
by molecular dynamics numerical experiment. Signal propagation in linear chain of carbon nanotubes linked
NMR studies and molecular dynamics simulation of cyclosporin in complex with detergent micelles by means of molecular dynamics simulation.
Computational Characterization of the Substrate Activation in the Active Site of SARS-CoV-2 Main ProteaseMolecular dynamics simulations with the QM(DFT)/MM potentials are utilized to discriminate between
Three-dimensional structures of carbohydrates and where to find them to carbohydrates and their derivatives. Databases, molecular modeling and experimental data validation services
NMR studies and molecular dynamics simulation of cyclosporin in complex with detergent micelles by means of molecular dynamics simulation.
Docking and molecular dynamics simulations in potential drugs discovery: An application to influenza virus M2 protein of docking can be achieved by different ways-one of them is molecular dynamics simulations of protein
Molecular dynamics simulation of diffusion along general high-angle grain boundaries in copper and vanadium is illustrated on the example of molecular dynamics simulations of general high-angle grain boundaries in copper
Investigation of compact denatured state of protein by molecular dynamics simulation denatured state, the method of molecular dynamics simulation seems to be very useful.
Essential Dynamics of DNA-Antibody Complexes or not containing a thymine dimer. Molecular dynamics simulations are used in conjunction with the Principle
Massively parallel molecular dynamics simulation of formation of ice-crystallite precursors in supercooled water: Incipient-nucleation behavior and role of system sizeMassively parallel molecular dynamics simulation of formation of ice-crystallite precursors
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