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47篇 您的检索式：作者名="KLEBE G"

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	题名	作者	年代	出处	被引量
1	A radical anion salt of 2,5-dimethyl-N,N'-dicyanoquinonediimine with extremely high electrical conductivity 显示文摘	Aumuller A Erk P Klebe G	1986	Angew Chem Int Ed Engl1986，，25：	1
2	Knowledge-based scoring function to predict protein-ligand interactions显示文摘	Gohlke H Hendlich M Klebe G		0，，02：	1
3	Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectiv- ity differences of inhibitors binding to trypsin, thrombin and factor Xa显示文摘	Bb'hm M Sttlrzebecher J Klebe G	1999	J Med Chem1999，42，：	1
4	DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of nearnative ligand poses and better affinity prediction显示文摘	Velec H F G Gohlke H Klebe G		0，，20：	1
5	Approaches to the description and prediction of the binding affinity of small molecule ligands to macromolecular reeeptors显示文摘	GOHLKE H KLEBE G	2002	Angew Chem Int Ed2002，41，：	1
6	Strategies for the design of inhibitors of aidose reductase,an enzyme showing pronouneed induced-fit adapatations显示文摘	Klebe G Kr μMer O Sctriffer C	2004	Cell Mol Life Sci2004，61，78：	1
7	Protonation changes upon ligand binding to trypsin and thrombin:structural interpretation based on pko calculations and ITC experiments 显示文摘	CZODROWSKI P SOTRIFFER C A KLEBE G	2007	J Mol Biol2007，367，：	1
8	Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity显示文摘	Abraham U Mietzner T	1994	J Med Chem1994，37，24：	1
9	Cavities tell more than sequences: exploring functional relationships of prote- ases via binding pockets 显示文摘	GLINCA S KLEBE G	2013	J Chem Inf Model2013，53，：	1
10	Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions 显示文摘	Heine A Koert U Klebe G	2007	Chem Med Chem2007，2，3：	1
11	显示文摘	GOHLKE H KLEBE G	2002	Angew Chem lnt Ed2002，41，：	1
12	Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to corre- late and predict their biological activity显示文摘	Klebe G Abraham U Mietzner T	1994	J Med Chem1994，37，：	1
13	Molecular similarity indices in a comparative analysis (COMSIA) of drug molecules to correlate and predict their biological activity显示文摘	KLEBE G ABRAHAM U MIETZNER T	1994	Journal of Medical Chemistry1994，37，：	1
14	Comparative molecular similarity index analysis (CoMSIA)to suudy hydrogen-bonding properties and to score combinatorial libraries显示文摘	Klebe G Abraham U	1999	J Med1999，13，：	1
15	Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution 显示文摘	Steuber H Heine A Klebe G	2007	J Mol Biol2007，368，3：	1
16	Assessing scoring functions for protein-ligand interactions显示文摘	Ferrara P Gohlke H Price D.J Klebe G Brooks C.L.I		0，，12：	1
17	Molecular similarity indices in a comparative analysis (CoMSIA) of drug molecules to correlate and predict their biological activity显示文摘	Klebe G Abraham U Mietzner T	1994	Journal of Medicinal Chemistry1994，37，24：	1
18	Three-dimensional quantitative structure-activity relationship analyses using comparative molecular field analysis and comparative molecular similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, thrombin,and factor Xa显示文摘	Bohm M St rzebecher J Klebe G	1999	Journal of Medicinal Chemistry1999，42，3：	1
19	Molecular Similarity Indices in a Com- parative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict their Biological Activity显示文摘	Klebe G Abraham U Mietzner T	1994	J Med Chem1994，，37：	1
20	Use of 3D QSAR models for database screening: A feasibility study显示文摘	Hillebrecht A Klebe G	2008	J Chem Inf Model2008，48，2：	1

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