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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
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
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
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
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
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
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
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


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