Sentence examples for molecular dynamic simulations from inspiring English sources

Experimentally derived DEER distances coupled with simulated annealing molecular dynamic simulations were used to probe the bilayer structure of the TMD of KCNE1.

The flexible loop regions were modeled using high temperature simulated annealing and constrained molecular dynamic simulations.

Molecular dynamic simulations of solid nitromethane under high pressures.

D.L. and V.G. performed the molecular dynamic simulations and wrote the manuscript.

Wang, D., Weerasinghe, J. & Bellaiche, L. Atomistic molecular dynamic simulations of multiferroics.

These results were supported by molecular dynamic simulations.

A.K. and F.L.G. carried out the molecular dynamic simulations of the sTKD dimer and free-energy landscape calculations of the monomer.

Sharma, S. et al. Molecular dynamic simulations of cisplatin- and oxaliplatin-d GG) intrastand croxaliplatin-d GG dintrastand in their conformational dynamics.

Over the past few years, numerous docking studies and molecular dynamic simulations were performed in an attempt to elucidate the binding modes of tyrosinase inhibitors.

We performed molecular dynamic simulations of two LexA dimers bound to operators.

The properties of aminoacid based ionic liquids are studied using classic molecular dynamic simulations.