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139篇 您的检索式：期刊名="Comput Aided Mol"

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	题名	作者	年代	出处	被引量
1	Identification of tissue-specifictargeting peptide 显示文摘	Jung E Lee NK Kang SK	2012	J Comput Aided Mol Des2012，26，11：	1
2	Development of energetic pharmacophore for the designing of 1,2,3,4-tetrahydropyrimidine derivatives as selective cyclooxygenase-2 inhibitors显示文摘	Lokwani D Shah R Mokale S	2012	J Comput Aided Mol Des2012，26，3：	1
3	Stability and free energy calcu- lateion of LNA modified quadruplex:a molecular dynamoics study 显示文摘	Chaubey AK DubeyKD Ojha RP	2012	J Comput Aided Mol Des2012，26，3：	1
4	Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling显示文摘	Banas P Otyepka M Jerabek P	2006	J Comput Aided Mol Des2006，20，：	1
5	A three-dimentional model of human immunodeficiency virus type 1 integrase complex 显示文摘	Wielens J Crosby I T Chalmers D K	2005	J Comput Aided Mol Des2005，19，5：	1
6	Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities 显示文摘	Meng EC Kuntz ID Abraham DJ	1994	J Comput Aided Mol Des1994，8，3：	1
7	MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: a comparative 3D QSAR study in a series of steroids 显示文摘	Bravi G Gancia E Mascagni P	1997	J Comput Aided Mol Des1997，11，1：	1
8	LUDI: Rule-based automatic design of new substituents for enzyme inhibitor leads显示文摘	Bohm H J	1992	Comput Aided Mol Des1992，6，：	1
9	A compara- tive study of AutoDock and PMF scoring perfor- mance, and SAR of 2-substituted pyarzolo pyrimi- dines and 4-substituted pyrazolo pyrimidines as po- tent xanthine oxidase inhibitors 显示文摘	ALI H L FUJITA T AKAHO E	2010	Comput Aided Mol Des2010，24，1：	1
10	Model of full-length HIV- 1 integrase complexed with viral DNA as template for anti-HIV drug design 显示文摘	Karki R G Tang Yun Burke T R	2004	J Comput Aided Mol Des2004，18，12：	1
11	Mechanism of enhanced convention of 1,2,3-trichlompropane by mutant haloalkane dehaloge- nase revealed by molecular modeling 显示文摘	Banks P Otyepka M Jerutbek P	2006	Comput Aided Mol Des2006，20，：	1
12	In silico ADME/T: why models fail显示文摘	Stouch TR Kenyon JR Johnson SR	2003	J Comput Aided Mol Des2003，17，24：	1
13	Development of an automatic estimation system for both the partition coefficient and aqueous solubility显示文摘	Suzuki T	1991	J Comput Aided Mol Des1991，5，：	1
14	Green: a program package for docking studies in rational drug design显示文摘	Tomioka N Itai A	1994	J Comput Aided Mol Des1994，8，：	1
15	Mechanism of inhibition of hu man secretory phospholipase A2 hy flavonoids : rationale for lead design显示文摘	Lattig J Bohl M Fischer P	2007	J Comput Aided Mol Des2007，21，8：	1
16	EVA: a new theoretically based molecular descriptor for use in QSAR/QSPR analysis显示文摘	Heritage T Jonathon P	1997	J Comput Aided Mol Des1997，11，2：	1
17	Protein ligand docking based on empirical method for binding affinity estimation显示文摘	Tao P Lai L H	2001	J Comput Aid Mol Des2001，15，5：	1
18	A molecular modeling study of inhibitors of nuclear factor kappa-B (p50)--DNA binding显示文摘	Pande V Sharma RK Inoue J	2003	J Comput Aided Mol Des2003，17，12：	1
19	HINT: a new method of empirical hydrophobic field calculation for CoMFA 显示文摘	Semus S F Abraham D J	1991	J Comput Aided Mol Des1991，5，：	1
20	Design and synthesis of type-III mimetics of ShK toxins 显示文摘	Baell JB Harvey AJ Norton RS	2002	Comput Aided Mol Des2002，16，4：	1

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