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Methods development and force field evaluation for molecular simulations of iinteractions between structured peptides and functionalized material surfaces

机译：用于结构化肽与功能化材料表面之间相互作用的分子模拟的方法开发和力场评估

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作者
Collier, Galen;
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作者单位

Clemson University;

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授予单位 Clemson University;
学科
学位 Ph.D.
年度 2011
页码 212 p.
总页数 212
原文格式 PDF
正文语种 eng
中图分类
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入库时间 2022-08-17 11:56:10

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1. Developments and Applications of Coil-Library-Based Residue Specific Force Fields for Molecular Dynamics Simulations of Peptides and Proteins [J] . Jiang Fan, Wu Hao-Nan, Kang Wei, Journal of chemical theory and computation: JCTC . 2019,第5期

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2. Physisorption Structure of Water on the GaN Polar Surface: Force Field Development and Molecular Dynamics Simulations [J] . Osbert Zheng Tan, Michael C. H. Wu, Viorel Chihaia The journal of physical chemistry, C. Nanomaterials and interfaces . 2011,第23期

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3. Force-Field Development and Molecular Dynamics Simulations of Ferrocene-Peptide Conjugates as a Scaffold for Hydrogenase Mimics [J] . Xavier de Hatten, Zoe Cournia, Ivan Huc Chemistry: A European journal . 2007,第29期

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4. Development of Tuned Interfacial Force Field Parameters in CHARMM for the Accurate Molecular Dynamics Simulation of Peptide Adsorption on Biomaterial Surfaces [C] . Tigran Abramyan, James A. Snyder, Jeremy A. Yancey, Society for biomaterials annual meeting and exposition . 2013

机译：CHARMM中接口界面力场参数调整的发展，用于精确吸附生物材料表面上的肽的分子动力学模拟
5. Comparative density functional theory, density functional tight binding and force field studies of aminoacids, peptides and peptide-titania interfaces: Bringing ab initio accuracy to biomolecular simulations [D] . Wenxuan, Li. 2016

机译：比较密度函数理论，密度函数紧密结合和氨基酸，肽和肽 - 二氧化钛界面的力现场研究：为生物分子模拟带来AB Initio精度
6. Comparison Between Empirical Protein Force Fields for the Simulation of the Adsorption Behavior of Structured LK Peptides on Functionalized Surfaces [O] . Galen Collier, Nadeem A. Vellore, Jeremy A. Yancey, -1

机译：模拟结构化LK肽在功能化表面上吸附行为的经验蛋白质力场之间的比较
7. Comparison Between Empirical Protein Force Fields for the Simulation of the Adsorption Behavior of Structured LK Peptides on Functionalized Surfaces [O] . Galen Collier, Nadeem A. Vellore, Jeremy A. Yancey, 2012

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Methods development and force field evaluation for molecular simulations of iinteractions between structured peptides and functionalized material surfaces

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