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浏览/检索结果: 共27条，第1-10条 帮助 限定条件 发表日期：2015    专题：北京大学    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 氢及其同位素宽区状态方程的核量子效应 期刊论文 强激光与粒子束, 2015 王聪; 贺贤土; 张平 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/12 第一性原理分子动力学 氢及其同位素状态方程 分子解离 first principle molecular dynamics hydrogen and its isotopes equations of states molecular dissociation   Fate of gold and base metals during metamorphic devolatilization of a pelite 期刊论文 GEOCHIMICA ET COSMOCHIMICA ACTA, 2015 Zhong, Richen; Brugger, Joel; Tomkins, Andrew G.; Chen, Yanjing; Li, Wenbo 收藏  |  浏览/下载：2/0  |  提交时间：2017/12/03 INITIO MOLECULAR-DYNAMICS  PARTIAL MOLAL PROPERTIES  AMPHIBOLITE FACIES METAMORPHISM  HYDROTHERMAL FLUIDS  NEW-ZEALAND  THERMODYNAMIC PROPERTIES  HIGH-PRESSURES  DEGREES-C  REGIONAL METAMORPHISM  CHLORIDE COMPLEXES   Contrasting regimes of Cu, Zn and Pb transport in ore-forming hydrothermal fluids 期刊论文 化工地质, 2015 Zhong, Richen; Brugger, Joel; Chen, Yanjing; Li, Wenbo 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/10 Thermodynamic modeling  Au-Cu-Pb-Zn  Metal transport  Chloride complexing  Hydrosulfide complexing  LA-ICP-MS  MOLECULAR-DYNAMICS SIMULATION  COPPER-MOLYBDENUM DEPOSIT  PORPHYRY MO DEPOSIT  OIL-FIELD BRINES  IN-SITU XAS  THERMODYNAMIC PROPERTIES  CHLORIDE COMPLEXES  GOLD DEPOSITS  HYDROSULFIDE/SULFIDE COMPLEXES   Solution Structure of Yeast Rpn9 INSIGHTS INTO PROTEASOME LID ASSEMBLY 期刊论文 journal of biological chemistry, 2015 Hu, Yunfei; Wu, Yujie; Li, Qianwen; Zhang, Wenbo; Jin, Changwen 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/13 N-15 RESONANCE ASSIGNMENTS  RESIDUAL DIPOLAR COUPLINGS  TORSION ANGLE DYNAMICS  26S PROTEASOME  SACCHAROMYCES-CEREVISIAE  REGULATORY PARTICLE  CRYSTAL-STRUCTURE  20S PROTEASOME  ELECTRON-MICROSCOPY  MOLECULAR-DYNAMICS   CapZ regulates autophagosomal membrane shaping by promoting actin assembly inside the isolation membrane 期刊论文 NATURE CELL BIOLOGY, 2015 Mi, Na; Chen, Yang; Wang, Shuai; Chen, Mengran; Zhao, Mingkun; Yang, Guang; Ma, Meisheng; Su, Qian; Luo, Sai; Shi, Jingwen; Xu, Jia; Guo, Qiang; Gao, Ning; Sun, Yujie; Chen, Zhucheng; Yu, Li 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 ARP2/3 COMPLEX  DEPOLYMERIZING FACTOR  CAPPING PROTEIN  F-ACTIN  PHOSPHATIDYLINOSITOL 3-PHOSPHATE  ENDOPLASMIC-RETICULUM  MOLECULAR-MECHANISMS  DYNAMICS  COFILIN  PATHWAY   Folding Thermodynamics and Mechanism of Five Trp-Cage Variants from Replica-Exchange MD Simulations with RSFF2 Force Field 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015 Zhou, Chen-Yang; Jiang, Fan; Wu, Yun-Dong 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS  FREE-ENERGY LANDSCAPE  EXPLICIT SOLVENT  UNFOLDED STATE  MINI-PROTEIN  MINIPROTEIN  WATER  INTERMEDIATE  RESOLUTION  PEPTIDES   Significant Refinement of Protein Structure Models Using a Residue-Specific Force Field 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015 Xun, Sangni; Jiang, Fan; Wu, Yun-Dong 收藏  |  浏览/下载：4/0  |  提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS  ALL-ATOM REFINEMENT  STRUCTURE PREDICTION  HOMOLOGY MODELS  ENERGY MINIMIZATION  ROSETTA  CATEGORY  ACCURATE  FEATURES  GROMACS   From Thermodynamics to Kinetics: Enhanced Sampling of Rare Events 期刊论文 ACCOUNTS OF CHEMICAL RESEARCH, 2015 Yang, Lijiang; Liu, Cheng-Wen; Shao, Qiang; Zhang, Jun; Gao, Yi Qin 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 ACCELERATED MOLECULAR-DYNAMICS  HYBRID DENSITY FUNCTIONALS  ION MOBILITY SPECTROMETRY  HELIX BUNDLE PROTEINS  BETA-HAIRPIN PEPTIDE  DISPERSION CORRECTIONS  POTENTIAL-ENERGY  REPLICA-EXCHANGE  COMPLEX-SYSTEMS  WATER CLUSTERS   Role of Planar Conformations in Aggregation Induced Spectral Shifts of Supermolecular Oligofluorenols in Solutions and Films: A Combined Experimental and MD/TD-DFT Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2015 Yuan, Xiangai; Zhang, Wanwan; Xie, Ling-Hai; Ma, Jing; Huang, Wei; Liu, Wenjian 收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS  BETA-PHASE FORMATION  CONJUGATED POLYMER POLY(9,9-DIOCTYLFLUORENE)  LIGHT-EMITTING MATERIALS  AB-INITIO CALCULATIONS  GROUND-STATE ENERGIES  POLYFLUORENE DERIVATIVES  FRAGMENTATION APPROACH  EXCITATION-ENERGIES  ELECTRONIC-STRUCTURES   DNA Structural Correlation in Short and Long Ranges 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2015 Gu, Chan; Zhang, Jun; Yang, Y. Isaac; Chen, Xi; Ge, Hao; Sun, Yujie; Su, Xiaodong; Yang, Lijiang; Xie, Sunney; Gao, Yi Qin 收藏  |  浏览/下载：3/0  |  提交时间：2017/12/03 MOLECULAR-DYNAMICS SIMULATIONS  POLYMERASE BINDING-SITE  NUCLEIC-ACID STRUCTURES  AMBER FORCE-FIELD  B-DNA  NUCLEOTIDE-SEQUENCE  ADENINE TRACT  BASE-PAIRS  PROTEIN  RNA