中国科学院机构知识库网格系统: 检索

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	Multiscale computational prediction of beta-sheet peptide self-assembly morphology 期刊论文 OAI收割 MOLECULAR SIMULATION, 2020 作者: Deng, Li; Wang, Yanting \| 收藏 \| 浏览/下载：29/0 \| 提交时间：2020/06/16 MOLECULAR-DYNAMICS METHOD INTERMOLECULAR FORCES PROTEIN AGGREGATION NANOMECHANICS POLYMORPHISM SIMULATIONS TRANSITIONS NANOTUBES FIBRILS SOLVENT
	A simulation study of water property changes using geometrical alteration in SPC/E 期刊论文 OAI收割 CHINESE PHYSICS B, 2018, 卷号: 27, 页码: 083103 作者: Li, Ming-Ru; Zhang, Nan; Zhang, Feng-Shou \| 收藏 \| 浏览/下载：33/0 \| 提交时间：2018/10/08 molecular dynamics simulation geometric modification intermolecular interaction ion's solvation
	Anisotropic formation mechanism and nanomechanics for the self-assembly process of cross-beta peptides 期刊论文 OAI收割 CHINESE PHYSICS B, 2017, 卷号: 26, 期号: 12, 页码: 128701 作者: Deng, L; Zhao, YR; Zhou, P; Xu, H; Wang, YT \| 收藏 \| 浏览/下载：35/0 \| 提交时间：2018/12/26 STEERED MOLECULAR-DYNAMICS ATOMIC-FORCE MICROSCOPY PARTICLE MESH EWALD AMYLOID FIBRILS FREE-ENERGY INTERMOLECULAR FORCES MONTE-CARLO NANOTUBES SYSTEMS SIMULATIONS
	Different nanostructures caused by competition of intra- and inter-beta-sheet interactions in hierarchical self-assembly of short peptides 期刊论文 OAI收割 JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2016, 卷号: 464, 页码: 219-228 作者: Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Road,POB 2735, Beijing 100190, Peoples R China.; Zhou, P; Deng, L; Wang, YT; Lu, JR \| 收藏 \| 浏览/下载：29/0 \| 提交时间：2017/10/13 Short Peptides Self-assembly Nanostructures Intermolecular Interactions Molecular Packing Modes Molecular Dynamics
	Intermolecular hydrogen bond and twisted intramolecular charge transfer in excited state of fast violet B (FVB) in methanol solution 期刊论文 OAI收割 spectrochimica acta part a-molecular and biomolecular spectroscopy, 2014, 卷号: 125, 页码: 67-72 作者: Chai, Shuo; Cong, Shu-Lin 收藏 \| 浏览/下载：18/0 \| 提交时间：2015/11/17 Twisted intramolecular charge transfer Intermolecular hydrogen bond Excited state dynamics Time-dependent density functional theory
	Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent 期刊论文 OAI收割 journal of chemical physics, 2011, 卷号: 135, 期号: 15 作者: Wu, Johnny; Zhen, Xia; Shen, Hujun; Li, Guohui; Ren, Pengyu 收藏 \| 浏览/下载：27/0 \| 提交时间：2015/11/12 biochemistry intermolecular forces macromolecules molecular biophysics molecular configurations molecular dynamics method polymer solutions solvation solvent effects
	On the Dynamics of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models II 期刊论文 OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 卷号: 114, 期号: 20, 页码: 6886-6904 作者: Wang, Yanting; Yan, TY , Nankai Univ, Inst New Energy Mat Chem, Tianjin 300071, Peoples R China; Yan, Tianying; Knox, Craig \| 收藏 \| 浏览/下载：20/0 \| 提交时间：2012/08/02 Kerr-effect Spectroscopy Molecular-force Field 1-butyl-3-methyl Imidazolium Hexafluorophosphate Alkyl Chain-length Transport-properties Physicochemical Properties Intermolecular Dynamics Dielectric Response Relaxation Processes Computer-simulation
	On the Dynamics of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models II 期刊论文 OAI收割 JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 卷号: 114, 期号: 20, 页码: 6886 Yan, TY; Wang, YT; Knox, C 收藏 \| 浏览/下载：32/0 \| 提交时间：2013/09/24 KERR-EFFECT SPECTROSCOPY MOLECULAR-FORCE FIELD 1-BUTYL-3-METHYL IMIDAZOLIUM HEXAFLUOROPHOSPHATE ALKYL CHAIN-LENGTH TRANSPORT-PROPERTIES PHYSICOCHEMICAL PROPERTIES INTERMOLECULAR DYNAMICS DIELECTRIC RESPONSE RELAXATION PROCESSES COMPUTER-SIMULATION