[PDF] Top 20 Optimization of molecular dynamics simulation code and applications to biomolecular systems
Has 10000 "Optimization of molecular dynamics simulation code and applications to biomolecular systems" found on our website. Below are the top 20 most common "Optimization of molecular dynamics simulation code and applications to biomolecular systems".
Optimization of molecular dynamics simulation code and applications to biomolecular systems
... μs of simulations on five amino acid analogues to provide the basis for the analysis of statistical equivalence and superiority of the developed algorithm for improving the performance ... See full document
241
Agent-Based Spatiotemporal Simulation of Biomolecular Systems within the Open Source MASON Framework
... potential to replicate cellular systems at its minimum components and thus help to understand the linkage from molecular level events to the emerging behaviour of the ... See full document
13
Molecular dynamics simulation in hybrid systems
... The code used in the present dissertation had the problems explained ...the code were used to verify if the coordinates of a particle are still inside of the sim- ulation box and ... See full document
70
Optimization in code generation to reduce energy consumption
... application of good compilation ...through optimization techniques. Most of the optimization techniques are very inefficient in obtaining improvements simul- taneously in the three mentioned ... See full document
194
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
... study of Fe(II) sulphates arises from at least two ...observation of sulphates of iron on Mars by recent exploration and secondly by the formation of Fe(II) and Fe(III) sulphates ... See full document
7
Molecular Dynamics Simulation Studies of dTTP Binding and Catalysis Mediated by YhdE Dimerization.
... series of molecular dynamics simulations and free energy calculations were carried out, dem- onstrating that it is energetically more favorable for YhdE dimerization being as the first reac- ... See full document
22
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
... type of iron site is not part of the heterosite structure and thus this finding suggests that the sample used for this study is not a pure heterosite ...part of the cations have entered the M1 ... See full document
5
Simulation of warehousing and distribution systems
... Color profile: Generic CMYK printer profile Composite Default screen... srpanj 2005 02:44.[r] ... See full document
12
Effects of single nucleotide polymorphisms on human N-acetyltransferase 2 structure and dynamics by molecular dynamics simulation.
... structure of human NAT2 was determined [28] . Residues S1 to G83 in the N-terminus mainly consisting of a-helices form a domain 1 (D1); residues F84-F192 mainly consisting of b-strands form a ... See full document
12
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
... one of the first gem materials to be simulated by synthetics like glass, plastic, pressed turquoise powder bonded by resin, colored gelmagnesite or howlite ...method of Gilson [23]. A set of ... See full document
10
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
... belongs to the Araçuai pegmatite district, located near Cor- onel Murta, north of Minas ...corresponds to a bluish 3.0 cm single crystal and was found in association with muscovite and ... See full document
8
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
... combination of scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDX) and vibrational ...predominance of As, Fe, Al, Cu, Fe and Cu. Minor amounts of Si were also ... See full document
6
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
... correction/adjustment and smoothing were performed using the Spectracalc software package GRAMS (Galactic Industries Corporation, NH, ...type of fitting function to be se- lected and allows ... See full document
5
Mecanismos de Condução Iônica em Canais de Sódio
... perturbation and weakening of the linker−S6 interaction, permitting, at first, opening of the pore lower gate accompanied by partial pore hydration; ions then enter the cavity, inducing progressive ... See full document
119
J. Aerosp. Technol. Manag. vol.9 número2
... 1. Optimization without uncertainty (step 1). Fitness function. the basis of the mathematics of uncertainty (mapping to a normal distribution space), calculating the border of ... See full document
10
A Simulation Platform To Model, Optimize And Design Wind Turbines. The Matlab/Simulink Toolbox
... modeling and simulation of dynamic ...conversion systems are for example such systems, containing subsystems with different ranges of the time constants: wind, turbine, ... See full document
7
Towards the design of new and improved drilling fluid additives using molecular dynamics simulations
... oil and gas, a technical drilling fluid is used to lubricate the drill bit, maintain hydrostatic pressure, transmit sensor readings, remove rock cuttings and inhibit swelling of unstable clay ... See full document
18
Amyotrophic Lateral Sclerosis Type 20 - In Silico Analysis and Molecular Dynamics Simulation of hnRNPA1.
... structure of hnRNPA1, which was proved to be a high-quality model according to PROCHECK, ERRAT, Qmean, ProSA, Ram- page and Verify ...D314N and N319S showed to be deleterious, ... See full document
18
Utilização de fluidodinâmica computacional (CFD) na avaliação da pasteurização de cervejas: efeito da orientação da lata
... safer and better quality food has created a need to better understand the processes involved in producing ...temperature and velocity profiles during the thermal processes of liquid foods in ... See full document
7
Braz. J. Phys. vol.34 número2A
... use molecular dynamics simulation to study the clustering of dust particles deposited on a liquid ...due to the deformation of the liquid medium which creates an ... See full document
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