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263篇 您的检索式：期刊名="Journal of Computational Chemistry"

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	题名	作者	年代	出处	被引量
1	The Amber biomolecular simulation programs 显示文摘	CASE D A CHEATHAM III T E DARDEN T	2005	Journal of Computational Chemistry2005，26，16：	1
2	Two-electron integral evaluation on the graphics processor unit显示文摘	Yasuda K	2008	Journal of Computational Chemistry2008，29，3：	1
3	Gromacs:Fast,flexible,and free显示文摘	Spoel D van der Lindahl E Hess B	2005	Journal of Computational Chemistry2005，26，16：	1
4	Spicker: approach to clustering protein structures for near-native model selection显示文摘	Zhang Y Skolnick J	2004	Journal of Computational Chemistry2004，，25：	1
5	General atomic and molecular electronic structure system显示文摘	Schmidt M W Baldridge K K Boatz J A	1993	Journal of Computational Chemistry1993，14，11：	1
6	Modification of the integral isoconversional method to account for variation in the activation energy 显示文摘	Vyazovkin S	2001	Journal of Computational Chemistry2001，22，2：	1
7	Geometry optimization of molecular structures in solution by the polarizable continuum model显示文摘	Barone V Cossi M Tomaso J	1998	Journal of computational chemistry1998，19，4：	1
8	Computing ensembles of transitions from stable states:Dynamic importance sampling显示文摘	Perilla J R Beckstein O Denning E J	2011	Journal of computational chemistry2011，32，2：	1
9	Investigation of the molecular surface area and volume:defined and calculated by the molecular face theo- ry显示文摘	GONG L D YANG Z Z	2010	Journal of Computational Chemistry2010，31，11：	1
10	TD-DFT study on the sensing mechanism of a fluorescent chemosensor for fluoride:Excited-state proton transfer 显示文摘	LI G Y ZHAO G J LIU Y H	2010	Journal of Computational Chemistry2010，31，8：	1
11	Support vector machines for predicting HIV protease cleavage sites in protein 显示文摘	Cai Yudong Liu XiaoJun Xu Xuebiao	2002	Journal of Computational Chemistry (S1096-987X)2002，23，2：	1
12	Study of Peptide Conformation in Terms of the ABEEM/MM Method显示文摘	Zhang Q	2006	Journal of Computational Chemistry2006，27，1：	1
13	Molecular dynamics simulations of ionic and nonionic surfactant micelles with a generalized Born implicit- solvent model显示文摘	Wang Y Wallace J A Koenig P H	2011	Journal of computational chemistry2011，32，11：	1
14	New optimization method for conformational energy calculations on polypeptides:conformational space annealing显示文摘	Lee J Scheraga H A Rackovsky S	1997	Journal of Computational Chemistry1997，18，9：	1
15	General atomic and molecular electronic structure system显示文摘	Schmidt M W Baldridge K K Boatz J A	1993	Journal of Computational Chemistry1993，14，11：	1
16	Accelerating moleeular modeling applications with graphics processors显示文摘	Stone JE Phillips JC Freddolino PL	2007	Journal of Computational Chemistry2007，28，16：	1
17	Energies, structures, and elec- tronic properties of molecules in solution with the C-PCM solvation model显示文摘	COSSI M REGA N SCAI2CIANI G	2003	Journal of Computational Chemistry2003，24，6：	1
18	A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations显示文摘	FIELD M J BASH P A KARPLUS M	1990	Journal of Computational Chemistry1990，11，6：	1
19	Scalable molecular dynamics with NAMD 显示文摘	Phillips J C Braun R Wang W	2005	Journal of Computational Chemistry2005，26，16：	1
20	A Parallel Finite Ele-ment Simulator for Ion Transport through Three-dimensional Ion Channel Systems 显示文摘	Tu Bin Chen Minxin Xie Yan	2013	Journal of Computing Chemistry2013，34，24：	1

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