全文获取类型
收费全文 | 87篇 |
免费 | 0篇 |
国内免费 | 2篇 |
专业分类
化学 | 12篇 |
数学 | 18篇 |
物理学 | 59篇 |
出版年
2020年 | 1篇 |
2018年 | 1篇 |
2017年 | 1篇 |
2014年 | 1篇 |
2013年 | 5篇 |
2012年 | 1篇 |
2011年 | 1篇 |
2010年 | 1篇 |
2009年 | 2篇 |
2008年 | 1篇 |
2007年 | 1篇 |
2005年 | 1篇 |
2004年 | 2篇 |
2002年 | 3篇 |
2001年 | 1篇 |
2000年 | 3篇 |
1999年 | 5篇 |
1997年 | 3篇 |
1996年 | 4篇 |
1995年 | 6篇 |
1994年 | 11篇 |
1993年 | 2篇 |
1992年 | 7篇 |
1991年 | 3篇 |
1990年 | 10篇 |
1989年 | 6篇 |
1988年 | 2篇 |
1987年 | 1篇 |
1985年 | 1篇 |
1977年 | 1篇 |
1974年 | 1篇 |
排序方式: 共有89条查询结果,搜索用时 46 毫秒
1.
Soderstrom E McKenna JA Abrams GS Adolphsen CE Averill D Ballam J Barish BC Barklow T Barnett BA Bartelt J Bethke S Blockus D Bonvicini G Boyarski A Brabson B Breakstone A Bulos F Burchat PR Burke DL Cence RJ Chapman J Chmeissani M Cords D Coupal DP Dauncey P DeStaebler HC Dorfan DE Dorfan JM Drewer DC Elia R Feldman GJ Fernandes D Field RC Ford WT Fordham C Frey R Fujino D Gan KK Gero E Gidal G Glanzman T Goldhaber G Gomez Cadenas JJ Gratta G Grindhammer G Grosse-Wiesmann P Hanson G Harr R 《Physical review letters》1990,64(25):2980-2983
2.
Komamiya S Abrams GS Adolphsen CE Averill D Ballam J Barish BC Barklow T Barnett BA Bartelt J Bethke S Blockus D Bonvicini G Boyarski A Brabson B Breakstone A Bulos F Burchat PR Burke DL Cence RJ Chapman J Chmeissani M Cords D Coupal DP Dauncey P DeStaebler HC Dorfan DE Dorfan JM Drewer DC Elia R Feldman GJ Fernandes D Field RC Ford WT Fordham C Frey R Fujino D Gan KK Gatto C Gero E Gidal G Glanzman T Goldhaber G Gomez Cadenas JJ Gratta G Grindhammer G Grosse-Wiesmann P Hanson G Harr R 《Physical review letters》1990,64(24):2881-2884
3.
4.
5.
6.
7.
8.
9.
10.
Muñoz-Muriedas J Perspicace S Bech N Guccione S Orozco M Luque FJ 《Journal of computer-aided molecular design》2005,19(6):401-419
Summary The use of a recently proposed hydrophobic similarity index for the alignment of molecules and the prediction of their differences
in biological activity is described. The hydrophobic similarity index exploits atomic contributions to the octanol/water transfer
free energy, which are evaluated by means of the fractional partitioning scheme developed within the framework of the Miertus-Scrocco-Tomasi
continuum model. Those contributions are used to define global and local measures of hydrophobic similarity. The suitability of this computational strategy is examined for two series of compounds
(ACAT inhibitors and 5-HT3 receptor agonists), which are aligned to maximize the global hydrophobic similarity using a Monte Carlo-simulated protocol.
Indeed, the concept of local hydrophobic similarity is used to explore structure–activity relationships in a series of COX-2 inhibitors. Inspection of
the 3D distribution of hydrophobic/hydrophilic contributions in the aligned molecules is valuable to identify regions of very
similar hydrophobicity, which can define pharmacophoric recognition patterns. Moreover, low similar regions permit to identify
structural elements that modulate the differences in activity between molecules. Finally, the quantitative relationships found
between the pharmacological activity and the hydrophobic similarity index points out that not only the global hydrophobicity,
but its 3D distribution, is important to gain insight into the activity of molecules.
J.M.M. and S.P. have contributed equally to this study. 相似文献