molecular dynamics


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molecular dynamics

[mə′lek·yə·lər di′nam·iks]
(physical chemistry)
A branch of physical chemistry concerned with molecular mechanisms of the elementary physical and chemical processes that control rates of reaction.
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Molecular dynamics is a technique that uses computers to solve the classical equations of motion for a system comprising of atoms or molecules.
The Molecular Dynamics results from this virtual model demonstrated good binding and affinity for all six Pharmacellion compounds studied, with lead compounds PCLN-202 and PCLN-201 having the highest affinity.
These technologies enable robust and easily managed liquid solder droplet simulations by treating them as aggregationsof particles, which represents a part of solder, within the molecular dynamics method, which is difficult to simulate using the meshing method due to high calculation costs and modeling skills.
Simulation time has been dramatically reduced by an embedded "MD Engine(R)," a dedicated computation board for high-speed computation of nonbonded interactions such as coulomb force and intermolecular force that account for more than 99% in many cases of molecular dynamics simulation.
Brot, New methods for searching for neighbours in molecular dynamics computations, J.
The Role Of Pseudouridine At The Spliceosomal Branch Site: A Molecular Dynamics Analysis.
The fundamentals of transport properties were developed in chemical engineering for simple gases and liquids, based on molecular dynamics and thermodynamics.
The backing by PEB and the track record of CEO and President Jay Flatley, formerly of Molecular Dynamics, could give this company a better chance than other genetic technology start-ups.
A MODEL FOR THE HUMAN ANDROGEN RECEPTOR LIGAND BINDING DOMAIN USING MOLECULAR DYNAMICS SIMULATIONS.
Molecular Dynamics and Kodak Scientific Imaging Systems has announced the introduction of a new low-energy-isotope storage phosphor screen.
Jay Flatley, Molecular Dynamics president and CEO said, "We are very pleased with this quarter's results, which represent record revenues for the company.
Their algorithm, which illustrates "constrained molecular dynamics," not only captures the movements within complex molecules, it also speeds up such simulations.

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