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厦门大学 [3]
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北京大学 [1]
物理研究所 [1]
数学与系统科学研究院 [1]
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期刊论文 [11]
发表日期
2011 [11]
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Materials ... [1]
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An Algebraic Spline Model of Molecular Surfaces for Energetic Computations
期刊论文
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2011, 卷号: 8, 期号: 6, 页码: 1458-1467
作者:
Zhao, Wenqi
;
Xu, Guoliang
;
Bajaj, Chandrajit
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2018/07/30
Polynomial splines
molecular surfaces
prismatic scaffolds
Bernstein-Bezier basis
solvation energetics
error bounds
rate of convergence
Anions Mediated Foldamers
期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2011, 卷号: 32, 期号: 9, 页码: 1928-1938
作者:
Wang Ying
;
Gan Quan
;
Jiang Hua
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/04/09
Foldamer
Anion
Hydrogen Bond
Self-assembly
SDOCK: A Global Protein-Protein Docking Program Using Stepwise Force-Field Potentials
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 卷号: 32, 期号: 12, 页码: 2598-2612
作者:
Zhang, Changsheng
;
Lai, Luhua
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/04/09
Protein-protein Docking
Stepwise Potentials
Force-field Potentials
Protein Interaction
Lazaridis-karplus Desolvation
Crystal morphology study of N,N '-diacetylchitobiose by molecular dynamics simulation
期刊论文
2011
Yang, Liulin
;
Dong, Yanming
;
董炎明
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2012/02/19
Crystal morphology
N,N '-Diacetylchitobiose
Interface layer model
Molecular dynamics simulation
Tautomerization, Solvent Effect and Binding Interaction on Vibrational Spectra of Adenine-Ag+ Complexes on Silver Surfaces: A DFT Study
期刊论文
http://dx.doi.org/10.1021/jp201977z, 2011
Huang, R.
;
Zhao, L. B.
;
Wu, D. Y.
;
Tian, Z. Q.
;
田中群
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2013/12/12
ENHANCED-RAMAN-SPECTROSCOPY
DENSITY-FUNCTIONAL THEORY
NUCLEIC-ACID CONSTITUENTS
MASS-SPECTROMETRY EXPERIMENTS
DOUBLE-RESONANCE SPECTROSCOPY
EXPERIMENTAL-MATRIX-ISOLATION
EFFECTIVE CORE POTENTIALS
JET-COOLED ADENINE
AB-INITIO
INFRARED-SPECTRA
Tautomerization, Solvent Effect and Binding Interaction on Vibrational Spectra of Adenine-Ag(+) Complexes on Silver Surfaces: A DFT Study
期刊论文
2011
Huang, Rong
;
Zhao, Liu-Bin
;
Wu, De-Yin
;
吴德印
;
Tian, Zhong-Qun
;
田中群
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2012/03/01
Community-Wide Assessment of Protein-Interface Modeling Suggests Improvements to Design Methodology
期刊论文
JOURNAL OF MOLECULAR BIOLOGY, 2011, 卷号: 414, 期号: 2, 页码: 289
Fleishman, SJ
;
Whitehead, TA
;
Strauch, EM
;
Corn, JE
;
Qin, SB
;
Zhou, HX
;
Mitchell, JC
;
Demerdash, ONA
;
Takeda-Shitaka, M
;
Terashi, G
;
Moal, IH
;
Li, XF
;
Bates, PA
;
Zacharias, M
;
Park, H
;
Ko, JS
;
Lee, H
;
Seok, C
;
Bourquard, T
;
Bernauer, J
;
Poupon, A
;
Aze, J
;
Soner, S
;
Ovali, SK
;
Ozbek, P
;
Ben Tal, N
;
Haliloglu, T
;
Hwang, H
;
Vreven, T
;
Pierce, BG
;
Weng, ZP
;
Perez-Cano, L
;
Pons, C
;
Fernandez-Recio, J
;
Jiang, F
;
Yang, F
;
Gong, XQ
;
Cao, LB
;
Xu, XJ
;
Liu, B
;
Wang, PW
;
Li, CH
;
Wang, CX
;
Robert, CH
;
Guharoy, M
;
Liu, SY
;
Huang, YY
;
Li, L
;
Guo, DC
;
Chen, Y
;
Xiao, Y
;
London, N
;
Itzhaki, Z
;
Schueler-Furman, O
;
Inbar, Y
;
Potapov, V
;
Cohen, M
;
Schreiber, G
;
Tsuchiya, Y
;
Kanamori, E
;
Standley, DM
;
Nakamura, H
;
Kinoshita, K
;
Driggers, CM
;
Hall, RG
;
Morgan, JL
;
Hsu, VL
;
Zhan, J
;
Yang, YD
;
Zhou, YQ
;
Kastritis, PL
;
Bonvin, AMJJ
;
Zhang, WY
;
Camacho, CJ
;
Kilambi, KP
;
Sircar, A
;
Gray, JJ
;
Ohue, M
;
Uchikoga, N
;
Matsuzaki, Y
;
Ishida, T
;
Akiyama, Y
;
Khashan, R
;
Bush, S
;
Fouches, D
;
Tropsha, A
;
Esquivel-Rodriguez, J
;
Kihara, D
;
Stranges, PB
;
Jacak, R
;
Kuhlman, B
;
Huang, SY
;
Zou, XQ
;
Wodak, SJ
;
Janin, J
;
Baker, D
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2013/09/17
COMPUTATIONAL DESIGN
BINDING
DOCKING
ANTIBODY
Microscopic solvation of NaBO2 in water: anion photoelectron spectroscopy and ab initio calculations
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 35, 页码: 15865-15872
作者:
Feng, Yuan
;
Cheng, Min
;
Kong, Xiang-Yu
;
Xu, Hong-Guang
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/04/09
SDOCK: A Global Protein-Protein Docking Program Using Stepwise Force-Field Potentials
期刊论文
journal of computational chemistry, 2011
Zhang, Changsheng
;
Lai, Luhua
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
protein-protein docking
stepwise potentials
force-field potentials
protein interaction
Lazaridis-Karplus desolvation
SHAPE-COMPLEMENTARITY
CRYSTAL-STRUCTURE
GEOMETRIC FIT
DATA-BANK
COMPLEXES
ELECTROSTATICS
DESIGN
PREDICTIONS
ALGORITHM
LIGANDS
THE UNIQUE PROPERTIES OF THE SOLID-LIKE CONFINED LIQUID FILMS: A LARGE SCALE MOLECULAR DYNAMICS SIMULATION APPROACH
期刊论文
Acta Mechanica Solida Sinica, 2011, 卷号: 24, 期号: 2, 页码: 101-116
作者:
王奉超(Wang FC)
;
赵亚溥(Zhao YP)
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2012/04/01
Confined Liquid
Solid-Like
Shear-Thinning
Slip
Large Scale Molecular Dynamics Simulation
Thin-Films
Rheological Properties
Solvation Forces
Surfaces
Slip
Hexadecane
Shear
Flow
Solidification
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