По вашему запросу найдено документов: 32015
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Thermal conductivity of supercooled water: An equilibrium molecular dynamics explorationThermal conductivity of supercooled water: An equilibrium molecular dynamics exploration
Beta-rich intermediates in denaturation of lysozyme: accelerated molecular dynamics simulations the transformation of α-helices to β-sheets. In the present work, the accelerated molecular dynamics technique
NMR studies and molecular dynamics simulation of cyclosporin in complex with detergent micelles by means of molecular dynamics simulation.
Role of Acetylcholinesterase in β-Amyloid Aggregation Studied by Accelerated Molecular Dynamics-amyloid. Accelerated molecular dynamics simulations were performed to investigate molecular mechanisms of this process
Kinetics of molybdenum(VI) oxide dissolution in sulfuric acid solutionsmolecular dynamics
Fibril fragments from the amyloid core of lysozyme: An accelerated molecular dynamics study of amyloidogenesis. The accelerated molecular dynamics approach was used to speed up the sampling of the fragment
Special features of the nonlinear dynamics of quasiparticles in molecular structures with hydrogen bonds with allowance for the interaction of not only the nearest neighborsThe dynamics of propagation of protons along a molecular chain of hydrogen bonds is analyzed
Method of molecular dynamics investigation of diffusion in solid solutions with consideration of ordering effects on the example of V50W50 and V90W10 alloys in solid solutions based on molecular dynamics (MD), taking into account the effects of ordering
Molecular polymorphism of human enzymes as the basis of individual sensitivity to drugs. Supercomputer-assisted modeling as a tool for analysis of structural changes and enzymatic activity of proteins associated with molecular polymorphism of human enzymes is discussed. The influence of molecular polymorphism
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