Search Results - "Noid, W.G"
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Rigorous Progress in Coarse-Graining
Published in Annual review of physical chemistry (01-06-2024)“…Low-resolution coarse-grained (CG) models provide remarkable computational and conceptual advantages for simulating soft materials. In principle, bottom-up CG…”
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Journal Article -
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BOCS: Bottom-up Open-source Coarse-graining Software
Published in The journal of physical chemistry. B (05-04-2018)“…We present the BOCS toolkit as a suite of open source software tools for parametrizing bottom-up coarse-grained (CG) models to accurately reproduce structural…”
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Journal Article -
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Chapter 7 Multiscale Simulation of Membranes and Membrane Proteins: Connecting Molecular Interactions to Mesoscopic Behavior
Published in Current Topics in Membranes (2008)“…Current progress in the field of the multiscale simulation of membranes is presented. A general survey of various simulation methods, and how they can relate…”
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Book Chapter -
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Simple Simulation Model for Exploring the Effects of Solvent and Structure on Asphaltene Aggregation
Published in The journal of physical chemistry. B (18-07-2019)“…Asphaltenes are operationally defined as the fraction of crude oil that is soluble in toluene but insoluble in n-heptane. According to the Yen–Mullins model,…”
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Journal Article -
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MD Simulations of the dsRBP DGCR8 Reveal Correlated Motions that May Aid pri-miRNA Binding
Published in Biophysical journal (07-07-2010)“…Over the past decade, microRNAs (miRNAs) have been shown to affect gene regulation by basepairing with messenger RNA, and their misregulation has been directly…”
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Journal Article