Results 311 to 320 of about 621,380 (345)

Molecular dynamics simulations of dendrimers

2021
The author retains copyright of this thesis. It must only be used for personal non-commercial research, education and study. It must not be used for any other purposes and may not be transmitted or shared with others without prior permission. For further terms on this licence: https://rightsstatements.org/page/InC-EDU/1.0/?language=en Contact ...
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Molecular dynamics simulations

2007
Introduction In the previous chapter we saw that the experimental values of physical quantities of a many-particle system can be found as an ensemble average. Experimental systems are so large that it is impossible to determine this ensemble average by summing over all the accessible states in a computer.
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Molecular Dynamics Simulations with NAMD2

2019
X-ray diffraction crystallography is the primary technique to determine the three-dimensional structures of biomolecules. Although a robust method, X-ray crystallography is not able to access the dynamical behavior of macromolecules. To do so, we have to carry out molecular dynamics simulations taking as an initial system the three-dimensional ...
Walter Filgueira de Azevedo, Gabriela Bitencourt-Ferreira   +1 more
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Molecular Dynamics Simulation of Proteins

2019
Molecular dynamics simulations allow the conformational motion of a molecule such as a protein to be followed over time at atomic-level detail. Several choices need to be made prior to running a simulation, including the software, which molecules to include in the simulation, and the force field used to describe their behavior. Guidance on making these
Thomas A. Collier, Thomas A. Collier, Jane R. Allison, Thomas J. Piggot, Thomas J. Piggot   +4 more
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Molecular dynamics simulations of friction

2000
no ...
Chantrenne, Patrice, Raynaud, M, Clapp, Pc, Rifkin, J, Becquart, Cs   +4 more
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Relativistic fluid dynamics: physics for many different scales

Living Reviews in Relativity, 2021
Nils Andersson
exaly  

Non-adiabatic Excited-State Molecular Dynamics: Theory and Applications for Modeling Photophysics in Extended Molecular Materials

Chemical Reviews, 2020
Tammie R Nelson, Alexander J White, Josiah A Bjorgaard   +2 more
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The cell biology of mitochondrial membrane dynamics

Nature Reviews Molecular Cell Biology, 2020
Marta Giacomello, Aswin Pyakurel, Christina Glytsou   +2 more
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Molecular dynamics simulation

Journal of Molecular Liquids, 1998
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Molecular dynamics simulation [PDF]

, 2018
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