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Investigation of compact denatured state of protein by molecular dynamics simulation denatured state, the method of molecular dynamics simulation seems to be very useful.

Short-range structural transformations in water at high pressuresWe report results of molecular dynamics simulations of liquid water at the temperature T = 277 K

Short-range structural transformations in water at high pressuresWe report results of molecular dynamics simulations of liquid water at the temperature T = 277 K

Coherent control of the molecular dynamics in a liquid by femtosecond four-pulse excitation liquid. As an example, we model the optical molecular responses resulting in the optical Kerr effect

NMR studies and molecular dynamics simulation of cyclosporin in complex with detergent micelles by means of molecular dynamics simulation.

Nonlocal heat transfer in two-dimensional Lennard-Jones crystal: Application of the molecular dynamics method is considered in the frame of molecular dynamics method. Calculations of heat flux, its time derivative

Molecular Dynamics Simulation of Copper Nanofilm Self-Assembly on Silicon Substrate under Gas-Discharge Plasma ConditionsAbstract: Using the molecular dynamics method, the sputtering of a copper target and the subsequent

Dynamics of liquid lithium atoms: Time scales and dynamic correlation functions on molecular dynamics simulation of the lithium melt near the melting point, the memory functions

Modeling of thermal transport in electronic nano-devices using methods of molecular dynamicsModeling of thermal transport in electronic nano-devices using methods of molecular dynamics

A model solution of the generalized langevin equation: Emergence and breaking of time-scale invariance in single-particle dynamics of liquids expression for the velocity autocorrelation function is in a good agreement with the molecular dynamics

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