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325篇 您的检索式：期刊名="J Mol Model"

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	题名	作者	年代	出处	被引量
1	Three-dimensional quantitantive structure-activity relationship study on paullones as CDK inhibitors using CoMSIA and CoMFA显示文摘	Zhu Lili Hou Tingjun Xu Xiaojie	2001	J Mol Model2001，7，：	2
2	Interaction of new PNA-based molecules with TAR RNA of HIV-1:Molecular modelling and biological evaluation显示文摘	Terreux R Pairot S Cabrol-Bass D	2001	J Mol Graph Model2001，19，：	1
3	o'-hole Bonding Between Like Atoms:A Fallacy of Atomic Charges显示文摘	POLITZER P MURRAY J S COHCNA M C	2008	J Mol Model2008，14，：	1
4	Investigation of structural requirements of anticancer activity at the paclitaxel/tubulinbinding site using CoMFA and CoMSIA显示文摘	Islam MN Song Y Iskander MN	2003	J Mol Graph Model2003，21，4：	1
5	SCORE: A new empirical method for estimating the binding affinity of a protein-ligand complex显示文摘	Wang R X Liu L Lai L H	1998	J Mol Model1998，4，12：	1
6	Atomistic modeling of water diffusion in hydrolytic biomaterials显示文摘	Gautieri A Mezzanzanica A Motta A	2012	J Mol Model2012，18，4：	1
7	Expansion of the a- hole Concept显示文摘	MURRAY J S LANE P POLITZER P	2009	J Mol Model2009，15，：	1
8	A D7' study on equilibrium geometries, stabilities, and electronic properties of small bimetallic Na-doped Au( n = 1-9 )clusters:comparison with pure gold clusters显示文摘	Li Yanfang Kuang Xiaoyu Mao Aijie	2012	J Mol Model2012，18，：	1
9	Halogen Bonding :a-hole显示文摘	CLARK T HENNEMANN M MURRAY J S	2007	J Mol Model2007，13，：	1
10	Ligsite: automatic and efficient detection of poten- tial small molecule-binding sites in proteins显示文摘	HENDLICH M RIPPMANN F BARNICKEL G	1997	J Mol Graphics Modell1997，15，：	1
11	LigBuilder:A multipurpose program for structure-based drug design显示文摘	Wang Renxiao Gao Ying Lai Luhua	2000	J Mol Model2000，6，：	1
12	a-hole Bonding:Molecules Containing Group VI Atoms显示文摘	MURRAY J S CIARK T LANE P	2007	J Mol Model2007，13，：	1
13	Structural and functional characterization of the human CCR5 receptor in complex with HIV gpl20 envelope glyeoprotcin and CD4 receptor by molecular modeling studies 显示文摘	Liu S Fan S Sun Z	2003	J Mol Model2003，9，5：	1
14	Regioselectivity of CYP2B6:homology modeling,molecular dynamics simulation,docking显示文摘	Bathelt C Schmid R D Pleiss J	2002	J Mol Model2002，8，11：	1
15	Molecular modeling of CD28 and three-dimensional analysis of residue conservation in the CD28/CD152 family显示文摘	Bajorath J W J Metzler P S Linsley	1997	J Mol Graph Model1997，15，：	1
16	Receptor-based QSAR studies of non-peptide human oxytocin receptor antagonists 显示文摘	Jojart B Marki A	2007	J Mol Graph Model2007，25，5：	1
17	显示文摘	EROGLU E TUEKMEN H	2007	J Mol Graph Model2007，26，4：	1
18	Prediction of polyamide properties using quantum-chemical methods and BP artificial neural networks显示文摘	GAO J WANG X LI X	2006	J Mol Model2006，12，4：	1
19	2D-QSAR, 3D-QSAR and molecular docking of 4(1H)-quinolones analogues with antimalarial activities显示文摘	THULIE P J V RICARDO G I JOEL J M A	2013	J Mol Graph Model2013，46，：	1
20	Novel semi-automated methodology for developing highly predictive QSAR models : application for development of QSAR models for insect repellent amides 显示文摘	BHONSLE J B BHATTACHARJEE A L GUPTA R K	2007	J Mol Model2007，13，1：	1

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