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浏览/检索结果: 共13条，第1-10条 帮助 限定条件 发表日期：2016    学科主题：Chemistry     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 Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2016, 卷号: 1094, 页码: 127-132 作者:  Wu, SG;  Jiang, MQ;  Liu, L;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China. 收藏  |  浏览/下载：17/0  |  提交时间：2017/10/13 Molecular Dynamics Simulation  T7 Rna Polymerase  Ppi Release  Potential Of Mean Force   Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690 作者:  Ramirez-Gonzalez, PE;  Ren, G;  Saielli, G;  Wang, YT;  Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, CAS Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China. 收藏  |  浏览/下载：19/0  |  提交时间：2017/10/13 Communication: Probing the existence of partially arrested states in ionic liquids 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 19, 页码: 191101 作者:  Ramirez-Gonzalez, PE;  Sanchez-Diaz, LE;  Medina-Noyola, M;  Wang, YT;  Ramirez-Gonzalez, PE (reprint author), Univ Autonoma San Luis Potosi, CONACYT Inst Fis Manuel Sandoval Vallarta, Alvaro Obregon 64, San Luis Potosi 78000, Slp, Mexico. 收藏  |  浏览/下载：28/0  |  提交时间：2017/10/13 Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 9152-9160 作者:  Saielli, G;  Wang, YT 收藏  |  浏览/下载：19/0  |  提交时间：2019/04/08 MOLECULAR-DYNAMICS SIMULATIONS  FORCE-FIELD  SPATIAL HETEROGENEITY  ATOMISTIC SIMULATIONS  DICYANAMIDE ANIONS  TAIL AGGREGATION  SOLAR-CELLS  PHASE  MESOMORPHISM  TRANSITION   Different nanostructures caused by competition of intra- and inter-beta-sheet interactions in hierarchical self-assembly of short peptides 期刊论文 JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2016, 卷号: 464, 页码: 219-228 作者:  Zhou, P;  Deng, L;  Wang, YT;  Lu, JR;  Xu, H 收藏  |  浏览/下载：9/0  |  提交时间：2019/04/08 Short peptides  AMINO-ACID-SEQUENCE  Self-assembly  MOLECULAR-DYNAMICS  Nanostructures  SIMULATIONS  Intermolecular interactions  AMPHIPHILES  Molecular packing modes  PROTEINS  Molecular dynamics  FIBRILS  SYSTEMS  BIOMATERIALS  STABILITY  INSIGHTS   Effect of Ion Rigidity on Physical Properties of Ionic Liquids Studied by Molecular Dynamics Simulation 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 25, 页码: 5678-5690 作者:  Wang, YT 收藏  |  浏览/下载：13/0  |  提交时间：2017/02/27 Free Energy Calculation for Base Pair Dissociation in a DNA Duplex 期刊论文 ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288 作者:  Wu, SG;  Wu, SG (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.;  Wu, SG (reprint author), Sichuan Normal Univ, Coll Chem & Mat Sci, Chengdu 610068, Peoples R China.;  Feng, D 收藏  |  浏览/下载：13/0  |  提交时间：2017/10/13 Potential Of Mean Force  Hydrogen Bond  Molecular Dynamics Simulation  Umbrella Sampling   Communication: Probing the existence of partially arrested states in ionic liquids 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 19, 页码: 191101 作者:  Ramirez-Gonzalez, PE;  Sanchez-Diaz, LE;  Medina-Noyola, M;  Wang, YT 收藏  |  浏览/下载：11/0  |  提交时间：2019/04/08 MOLECULAR-DYNAMICS  GLASS-TRANSITION  1-ALKYL-3-METHYLIMIDAZOLIUM CATIONS  FORCE-FIELD  TEMPERATURE  SIMULATION  THERMODYNAMICS  VISCOSITY   Role of the Electrostatic Interactions in the Stabilization of Ionic Liquid Crystals: Insights from Coarse-Grained MD Simulations of an Imidazolium Model 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 9152-9160 作者:  Saielli, G;  Wang, YT;  Saielli, G (reprint author), Univ Padua, Unit Padova, CNR Inst Membrane Technol, Via Marzolo, I-35131 Padua, Italy.;  Saielli, G (reprint author), Univ Padua, Dept Chem Sci, Via Marzolo, I-35131 Padua, Italy. 收藏  |  浏览/下载：16/0  |  提交时间：2017/10/13 Free Energy Calculation for Base Pair Dissociation in a DNA Duplex 期刊论文 ACTA PHYSICO-CHIMICA SINICA, 2016, 卷号: 32, 期号: 5, 页码: 1282-1288 作者:  Wu, SG;  Feng, D 收藏  |  浏览/下载：13/0  |  提交时间：2019/04/08 Potential of mean force  MOLECULAR-DYNAMICS SIMULATIONS  Hydrogen bond  PARTICLE MESH EWALD  Molecular dynamics simulation  NUCLEIC-ACIDS  Umbrella sampling  FORCE-FIELD  RNA  TRIPHOSPHATE  MECHANICS  GROMACS