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浏览/检索结果: 共6条，第1-6条 帮助 限定条件 发表日期：2011    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 Elucidating the Energetics of Entropically Driven Protein-Ligand Association: Calculations of Absolute Binding Free Energy and Entropy 期刊论文 journal of physical chemistry b, 2011 Deng, Nan-jie; Zhang, Peng; Cieplak, Piotr; Lai, Luhua 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 HUMAN-IMMUNODEFICIENCY-VIRUS  MOLECULAR-DYNAMICS SIMULATIONS  HIV-1 PROTEASE  DRUG DESIGN  COMPUTER-SIMULATIONS  ACCURATE PREDICTION  STRUCTURAL BIOLOGY  EXPLICIT SOLVENT  WATER-MOLECULES  INHIBITORS   Structures and conformations of heteroatom-bridged calixarenes 期刊论文 journal of physical organic chemistry, 2011 Zuo, Chun-Shan; Wiest, Olaf; Wu, Yun-Dong 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 computational chemistry  dynamic stereochemistry  ANION-BINDING PROPERTIES  CATION-PI INTERACTIONS  CRYSTAL-STRUCTURE  POLYFUNCTIONAL PHOSPHININES  SELECTIVE COMPLEXATION  MOLECULAR RECOGNITION  NMR-SPECTROSCOPY  HYDROGEN-BONDS  CARBON-DIOXIDE  METAL-IONS   Heating a bowl of single-molecule-soup: structure and desorption energetics of water-encapsulated open-cage [60] fullerenoid anions in the gas-phase 期刊论文 physical chemistry chemical physics, 2011 Hampe, Oliver; Karpuschkin, Tatjana; Vonderach, Matthias; Weis, Patrick; Yu, Yuming; Gan, Liangbing; Klopper, Wim; Kappes, Manfred M. 收藏  |  浏览/下载：1/0  |  提交时间：2015/11/12 INFRARED RADIATIVE DISSOCIATION  FT-ICR CELL  LOW-TEMPERATURE  COMPLEXES  HELIUM  DESIGN  IONS  APPROXIMATION  HYDROGEN  ENERGY   Formation and recognition of G-quadruplex in promoter of c-myb oncogene by electrospray ionization mass spectrometry 期刊论文 journal of mass spectrometry, 2011 Cui, Xiaojie; Yuan, Gu 收藏  |  浏览/下载：2/0  |  提交时间：2015/11/10 G-quadruplex  c-myb gene  ESI-MS  dehydrocorydaline  autodock  HIV-1 INTEGRASE INHIBITORS  DIMERIC G-QUADRUPLEXES  TRIPLET REPEAT DNA  BINDING  DIFFERENTIATION  EXPRESSION  COMPLEXES  LEUKEMIAS  GENE  THERAPEUTICS   Calculations of low-lying states of hydrogen atom in strong magnetic field by generalized pseudospectral method 期刊论文 物理学报, 2011 Zeng Si-Liang; Ni Fei-Fei; He Jian-Feng; Zou Shi-Yang; Yan Jun 收藏  |  浏览/下载：9/0  |  提交时间：2015/11/16 strong magnetic field  CWDVR generalized pseudospectral method  energy level  quadrupole moment  SCHRODINGER-EQUATION  ENERGY-LEVELS  ARBITRARY STRENGTH  SPECTRAL METHOD  NEUTRON-STARS  B-SPLINES  LITHIUM  ATMOSPHERES  MOLECULES   Unique Spectroscopic Signature of Nearly Degenerate Isomers of Au(CN)(3) Anion 期刊论文 journal of physical chemistry letters, 2011 Samanta, Devleena; Wu, Miao Miao; Jenet, Puru 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 IONIZATION-POTENTIALS  AB-INITIO  MOLECULAR CALCULATIONS  COORDINATION POLYMERS  ELECTRON-AFFINITIES  TRANSITION-ELEMENTS  BINDING-ENERGIES  BUILDING-BLOCKS  WAVE-FUNCTIONS  BASIS-SETS