2006 |
26 | EE | Osvaldo Andrade Santos-Filho,
Anton J. Hopfinger:
Structure-Based QSAR Analysis of a Set of 4-Hydroxy-5, 6-dihydropyrones as Inhibitors of HIV-1 Protease: An Application of the Receptor-Dependent (RD) 4D-QSAR Formalism.
Journal of Chemical Information and Modeling 46(1): 345-354 (2006) |
2004 |
25 | EE | Craig L. Senese,
José S. Duca,
Dahua Pan,
Anton J. Hopfinger,
Yufeng Tseng:
4D-Fingerprints, Universal QSAR and QSPR Descriptors.
Journal of Chemical Information and Modeling 44(5): 1526-1539 (2004) |
24 | EE | Dahua Pan,
Manisha Iyer,
Jianzhong Liu,
Yi Li,
Anton J. Hopfinger:
Constructing Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis.
Journal of Chemical Information and Modeling 44(6): 2083-2098 (2004) |
2003 |
23 | EE | Xuan Hong,
Anton J. Hopfinger:
3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis.
Journal of Chemical Information and Computer Sciences 43(1): 324-336 (2003) |
22 | EE | Craig L. Senese,
Anton J. Hopfinger:
Receptor-Independent 4D-QSAR Analysis of a Set of Norstatine Derived Inhibitors of HIV-1 Protease.
Journal of Chemical Information and Computer Sciences 43(4): 1297-1307 (2003) |
21 | EE | Dahua Pan,
Yufeng Tseng,
Anton J. Hopfinger:
Quantitative Structure-Based Design: Formalism and Application of Receptor-Dependent RD-4D-QSAR Analysis to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase.
Journal of Chemical Information and Computer Sciences 43(5): 1591-1607 (2003) |
20 | EE | Jianzhong Liu,
Dahua Pan,
Yufeng Tseng,
Anton J. Hopfinger:
4D-QSAR Analysis of a Series of Antifungal P450 Inhibitors and 3D-Pharmacophore Comparisons as a Function of Alignment.
Journal of Chemical Information and Computer Sciences 43(6): 2170-2179 (2003) |
19 | EE | Craig L. Senese,
Anton J. Hopfinger:
A Simple Clustering Technique To Improve QSAR Model Selection and Predictivity: Application to a Receptor Independent 4D-QSAR Analysis of Cyclic Urea Derived Inhibitors of HIV-1 Protease.
Journal of Chemical Information and Computer Sciences 43(6): 2180-2193 (2003) |
2002 |
18 | EE | Amit Kulkarni,
Yi Han,
Anton J. Hopfinger:
Predicting Caco-2 Cell Permeation Coefficients of Organic Molecules Using Membrane-Interaction QSAR Analysis.
Journal of Chemical Information and Computer Sciences 42(2): 331-342 (2002) |
2001 |
17 | EE | José S. Duca,
Anton J. Hopfinger:
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation.
Journal of Chemical Information and Computer Sciences 41(5): 1367-1387 (2001) |
16 | EE | Malini Ravi,
Anton J. Hopfinger,
Robert E. Hormann,
Laurence Dinan:
4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling.
Journal of Chemical Information and Computer Sciences 41(6): 1587-1604 (2001) |
15 | EE | Osvaldo Andrade Santos-Filho,
Anton J. Hopfinger:
A search for sources of drug resistance by the 4D-QSAR analysis of a set of antimalarial dihydrofolate reductase inhibitors.
Journal of Computer-Aided Molecular Design 15(1): 1-12 (2001) |
14 | EE | Osvaldo Andrade Santos-Filho,
Rama K. Mishra,
Anton J. Hopfinger:
Free energy force field (FEFF) 3D-QSAR analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors.
Journal of Computer-Aided Molecular Design 15(9): 787-810 (2001) |
1999 |
13 | EE | Prabha Venkatarangan,
Anton J. Hopfinger:
Prediction of Ligand-Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase.
Journal of Chemical Information and Computer Sciences 39(6): 1141-1150 (1999) |
12 | EE | Anton J. Hopfinger,
Andrea Reaka,
Prabha Venkatarangan,
José S. Duca,
Shen Wang:
Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b.
Journal of Chemical Information and Computer Sciences 39(6): 1151-1160 (1999) |
1998 |
11 | EE | Magaly G. Albuquerque,
Anton J. Hopfinger,
E. J. Barreiro,
Ricardo B. de Alencastro:
Four-Dimensional Quantitative Structure-Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor Antagonists.
Journal of Chemical Information and Computer Sciences 38(5): 925-938 (1998) |
1997 |
10 | EE | J. S. Tokarski,
Anton J. Hopfinger:
Constructing Protein Models for Ligand-Receptor Binding Thermodynamic Simulations: An Application to a Set of Peptidometic Renin Inhibitors.
Journal of Chemical Information and Computer Sciences 37(4): 779-791 (1997) |
9 | EE | J. S. Tokarski,
Anton J. Hopfinger:
Prediction of Ligand-Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis: Application to a Set of Peptidometic Renin Inhibitors.
Journal of Chemical Information and Computer Sciences 37(4): 792-811 (1997) |
1996 |
8 | EE | K.-B. Rhyu,
H. C. Patel,
Anton J. Hopfinger:
A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis [J. Chem. Inf. Comput. Sci 35, 771-778 (1995)].
Journal of Chemical Information and Computer Sciences 36(3): 620 (1996) |
7 | EE | Ulrike Holzgrabe,
Anton J. Hopfinger:
Conformational Analysis, Molecular Shape Comparison, and Pharmacophore Identification of Different Allosteric Modulators of Muscarinic Receptors.
Journal of Chemical Information and Computer Sciences 36(5): 1018-1024 (1996) |
1995 |
6 | | K.-B. Rhyu,
H. C. Patel,
Anton J. Hopfinger:
A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis.
Journal of Chemical Information and Computer Sciences 35(4): 771-778 (1995) |
1994 |
5 | EE | B. Jin,
Anton J. Hopfinger:
A Proposed Common Spatial Pharmacophore and the Corresponding Active Conformations of Some TxA2 Receptor Antagonists.
Journal of Chemical Information and Computer Sciences 34(4): 1014-1021 (1994) |
4 | EE | David Rogers,
Anton J. Hopfinger:
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships.
Journal of Chemical Information and Computer Sciences 34(4): 854-866 (1994) |
3 | EE | Peter I. Nagy,
John Tokarski,
Anton J. Hopfinger:
Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors.
Journal of Chemical Information and Computer Sciences 34(5): 1190-1197 (1994) |
1981 |
2 | EE | Nelson L. Max,
Deepak Malhorta,
Anton J. Hopfinger:
Computer graphics and the generation of DNA confirmations for intercalation studies.
Computers & Chemistry 5(1): 19-27 (1981) |
1977 |
1 | EE | R. Potenzone Jr.,
Elizabeth Cavicchi,
Herschel J. R. Weintraub,
Anton J. Hopfinger:
Molecular mechanics and the CAMSECI processor.
Computers & Chemistry 1(3): 187-194 (1977) |