'Molecular simulations' presentation slideshows

Bioinformatics Data Analysis & Tools

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Valeri Barsegov Department of Chemistry University of Massachusetts Lowell

Computer simulations of proteins: all-atom and coarse-grained models. Valeri Barsegov Department of Chemistry University of Massachusetts Lowell. YITP, Kyoto University, Japan (2008). Outline:. Introduction:

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Environment from the molecular level:

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Integrating GPUs into Condor

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What are Multiscale Methods?

What are Multiscale Methods?. Russel Caflisch Mathematics & Materials Science Depts, UCLA. Introduction. Scientific problems involving multiple length and time scales Atomistic and continuum Nanosystems Protein folding

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Statistical Mechanics and Multi-Scale Simulation Methods ChBE 591-009

Statistical Mechanics and Multi-Scale Simulation Methods ChBE 591-009. Prof. C. Heath Turner Lecture 08. Some materials adapted from Prof. Keith E. Gubbins: http://gubbins.ncsu.edu Some materials adapted from Prof. David Kofke: http://www.cbe.buffalo.edu/kofke.htm. Molecular Simulations.

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Cross Cutting Computation: panel members

Cross Cutting Computation: panel members. Brian Anderson Paulette Clancy* Michael Deem Laura Gagliardi Maciej Haranczyk Rajamani Krishna Berend Smit*. * Panel co-lead. 1. Cross Cutting Computation: technology challenges.

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CNMS User Program Highlight Nanoscale Ferroelectricity in Crystalline ? Glycine

CNMS User Program Highlight Nanoscale Ferroelectricity in Crystalline ? Glycine

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Molecular Simulation of Gas Separations Sohail Murad, Chemical Engineering Department

Molecular Simulation of Gas Separations Sohail Murad, Chemical Engineering Department Prime Grant Support: US National Science Foundation. Problem Statement and Motivation. Understand The Molecular Basis For Membrane Based Gas Separations

138 views • 1 slides