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15篇 您的检索式:期刊名="Mol Simul"
    题名 作者 年代 出处 被引量
1On the approximation of solvent effects on conformation and dynamics of Cyclosporin:A by stochastic dynamics simulation techniques显示文摘Shi Y Y Wang L Van Gunsteren W F 1988Mol Simul1988,1,:1
2Relation between two proposed fluctuation theorems显示文摘EVANS D J 2005Mol Simul2005,31,6:1
3Molecu- lar dynamics simulations of three protegrin-type anti-mi- crobial peptides:Interplay between charges at the termini,β-sheet structure and amphiphilic interactions显示文摘Bolintineanu D S Langham A Davis H T 2007Mol Simul2007,33,:1
4Homology modelling, virtual screening and molecular dynamics of the MARK3 KA1 domain for cancer drug design 显示文摘Semighini EP Taft CA Silva C 2011Mol Simul2011,37,14:1
5Computer simulations of two dimensional gold nanoparticle arrays: the influence of core geometry 显示文摘Tay K Bresme F 2005Mol Simul2005,31,67:1
6The quasicontinuum method revisited 显示文摘Mortensen J J Schitz J Jacobsen K W 2002Challenges Mol Simul2002,4,:1
7Monte carlo simulation study of adsorption characteristics in slitlike micropores under supercritical conditions 显示文摘 Yoneya J Nitta T 1996Mol Simul1996,16,4:1
8The self - diffusion and hydrogen bond interaction in neat liquid alkanols: a molecular dynamic simulation study 显示文摘FENG H GAO W SUN Z 2014Mol Simul2014,40,13:1
9Molecular simulation of CO2,N2 and CH4 adsorption and separation in ZIF-78 and ZIF-79显示文摘Li B Wei S H Chen L 2011Mol Simul2011,37,13:1
10Microphase separation of star-diblock copolymer melts studied by dissipative particle dynamics simulation 显示文摘Xu Y Feng J Liu H 2006Mol Simul2006,32,5:1
11Adsorption behavior of polydisperse polymeric systems in slits显示文摘Liu M T Mu B Z Liu H L 2004J Mol Simul2004,30,5:1
12Molecular simulation study of the effect of cross-linker on the properties of poly (N-isopropyl acrylamide) hydrogel显示文摘Deshmukh S Mooney D A MacElroy J M D 2011Mol Simul2011,37,10:1
13Leapfrog rotational algorithms 显示文摘 1992Mol Simul1992,8,:1
14The conductor-like screening model for polymers and surfaces 显示文摘DELLEY B 2006Mol Simul2006,32,:1
15An effective solvation term based on atomic occupancies for use in protein simulations显示文摘Stouten PFW Frommel C Nakamura H 1993Mol Simul1993,10,:1
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