Anton J. Hopfinger

39 papers Journal 39
YearRankTypeTitle / Venue / Authors
2013 J jnl
Dependence of QSAR Models on the Selection of Trial Descriptor Sets: A Demonstration Using Nanotoxicity Endpoints of Decorated Nanotubes.
J. Chem. Inf. Model.
Chi-Yu Shao, Sing-Zuo Chen, Bo-Han Su, Yufeng J. Tseng, Emilio Xavier Esposito, Anton J. Hopfinger
2012 J jnl
The great descriptor melting pot: mixing descriptors for the common good of QSAR models.
J. Comput. Aided Mol. Des.
Yufeng J. Tseng, Anton J. Hopfinger, Emilio Xavier Esposito
2010 J jnl
3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents.
J. Comput. Aided Mol. Des.
Carolina Horta Andrade, Kerly F. M. Pasqualoto, Elizabeth I. Ferreira, Anton J. Hopfinger
2010 J jnl
In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage.
J. Chem. Inf. Model.
Bo-Han Su, Meng-yu Shen, Emilio Xavier Esposito, Anton J. Hopfinger, Yufeng J. Tseng
2009 J jnl
3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer Cells.
J. Chem. Inf. Model.
Poonsiri Thipnate, Jianzhong Liu, Supa Hannongbua, Anton J. Hopfinger
2009 J jnl
Findings of the Challenge To Predict Aqueous Solubility.
J. Chem. Inf. Model.
Anton J. Hopfinger, Emilio Xavier Esposito, Antonio Llinàs, Robert C. Glen, Jonathan M. Goodman
2009 J jnl
Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors.
J. Chem. Inf. Model.
Carolina Horta Andrade, Kerly F. M. Pasqualoto, Elizabeth I. Ferreira, Anton J. Hopfinger
2008 J jnl
Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors.
J. Comput. Aided Mol. Des.
Jianzhong Liu, Petra Kern, G. Frank Gerberick, Osvaldo Andrade Santos-Filho, Emilio Xavier Esposito, Anton J. Hopfinger, Yufeng J. Tseng
2008 J jnl
Membrane-Interaction Quantitative Structure-Activity Relationship (MI-QSAR) Analyses of Skin Penetration Enhancers.
J. Chem. Inf. Model.
Tao Zheng, Anton J. Hopfinger, Emilio Xavier Esposito, Jianzhong Liu, Yufeng J. Tseng
2007 J jnl
QSAR Analyses of Skin Penetration Enhancers.
J. Chem. Inf. Model.
Manisha Iyer, Tao Zheng, Anton J. Hopfinger, Yufeng J. Tseng
2007 J jnl
Treating Chemical Diversity in QSAR Analysis: Modeling Diverse HIV-1 Integrase Inhibitors Using 4D Fingerprints.
J. Chem. Inf. Model.
Manisha Iyer, Anton J. Hopfinger
2006 J jnl
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.
J. Chem. Inf. Model.
Osvaldo Andrade Santos-Filho, Anton J. Hopfinger
2005 J jnl
Construction of 4D-QSAR Models for Use in the Design of Novel p38-MAPK Inhibitors.
J. Comput. Aided Mol. Des.
Nelilma Correia Romeiro, Magaly G. Albuquerque, Ricardo B. de Alencastro, Malini Ravi, Anton J. Hopfinger
2005 J jnl
Prediction of plasma protein binding of drugs using Kier-Hall valence connectivity indices and 4D-fingerprint molecular similarity analyses.
J. Comput. Aided Mol. Des.
Jianzhong Liu, Liu Yang, Yi Li, Dahua Pan, Anton J. Hopfinger
2004 J jnl
4D-Fingerprints, Universal QSAR and QSPR Descriptors.
J. Chem. Inf. Model.
Craig L. Senese, José S. Duca, Dahua Pan, Anton J. Hopfinger, Yufeng J. Tseng
2004 J jnl
Constructing Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis.
J. Chem. Inf. Model.
Dahua Pan, Manisha Iyer, Jianzhong Liu, Yi Li, Anton J. Hopfinger
2003 J jnl
3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis.
J. Chem. Inf. Comput. Sci.
Xuan Hong, Anton J. Hopfinger
2003 J jnl
4D-QSAR Analysis of a Series of Antifungal P450 Inhibitors and 3D-Pharmacophore Comparisons as a Function of Alignment.
J. Chem. Inf. Comput. Sci.
Jianzhong Liu, Dahua Pan, Yufeng J. Tseng, Anton J. Hopfinger
2003 J jnl
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.
J. Chem. Inf. Comput. Sci.
Craig L. Senese, Anton J. Hopfinger
2003 J jnl
Quantitative Structure-Based Design: Formalism and Application of Receptor-Dependent RD-4D-QSAR Analysis to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase.
J. Chem. Inf. Comput. Sci.
Dahua Pan, Yufeng J. Tseng, Anton J. Hopfinger
2003 J jnl
Receptor-Independent 4D-QSAR Analysis of a Set of Norstatine Derived Inhibitors of HIV-1 Protease.
J. Chem. Inf. Comput. Sci.
Craig L. Senese, Anton J. Hopfinger
2002 J jnl
Predicting Caco-2 Cell Permeation Coefficients of Organic Molecules Using Membrane-Interaction QSAR Analysis.
J. Chem. Inf. Comput. Sci.
Amit Kulkarni, Yi Han, Anton J. Hopfinger
2001 J jnl
4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling.
J. Chem. Inf. Comput. Sci.
Malini Ravi, Anton J. Hopfinger, Robert E. Hormann, Laurence Dinan
2001 J jnl
A search for sources of drug resistance by the 4D-QSAR analysis of a set of antimalarial dihydrofolate reductase inhibitors.
J. Comput. Aided Mol. Des.
Osvaldo Andrade Santos-Filho, Anton J. Hopfinger
2001 J jnl
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation.
J. Chem. Inf. Comput. Sci.
José S. Duca, Anton J. Hopfinger
2001 J jnl
Free energy force field (FEFF) 3D-QSAR analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors.
J. Comput. Aided Mol. Des.
Osvaldo Andrade Santos-Filho, Rama K. Mishra, Anton J. Hopfinger
1999 J jnl
Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b.
J. Chem. Inf. Comput. Sci.
Anton J. Hopfinger, Andrea Reaka, Prabha Venkatarangan, José S. Duca, Shen Wang
1999 J jnl
Prediction of Ligand-Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase.
J. Chem. Inf. Comput. Sci.
Prabha Venkatarangan, Anton J. Hopfinger
1998 J jnl
Four-Dimensional Quantitative Structure-Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor Antagonists.
J. Chem. Inf. Comput. Sci.
Magaly G. Albuquerque, Anton J. Hopfinger, Eliezer J. Barreiro, Ricardo B. de Alencastro
1997 J jnl
Constructing Protein Models for Ligand-Receptor Binding Thermodynamic Simulations: An Application to a Set of Peptidometic Renin Inhibitors.
J. Chem. Inf. Comput. Sci.
J. S. Tokarski, Anton J. Hopfinger
1997 J jnl
Prediction of Ligand-Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis: Application to a Set of Peptidometic Renin Inhibitors.
J. Chem. Inf. Comput. Sci.
J. S. Tokarski, Anton J. Hopfinger
1996 J jnl
A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis [J. Chem. Inf. Comput. Sci 35, 771-778 (1995)].
J. Chem. Inf. Comput. Sci.
K.-B. Rhyu, H. C. Patel, Anton J. Hopfinger
1996 J jnl
Conformational Analysis, Molecular Shape Comparison, and Pharmacophore Identification of Different Allosteric Modulators of Muscarinic Receptors.
J. Chem. Inf. Comput. Sci.
Ulrike Holzgrabe, Anton J. Hopfinger
1995 J jnl
A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis.
J. Chem. Inf. Comput. Sci.
K.-B. Rhyu, H. C. Patel, Anton J. Hopfinger
1994 J jnl
A Proposed Common Spatial Pharmacophore and the Corresponding Active Conformations of Some TxA2 Receptor Antagonists.
J. Chem. Inf. Comput. Sci.
B. Jin, Anton J. Hopfinger
1994 J jnl
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships.
J. Chem. Inf. Comput. Sci.
David Rogers, Anton J. Hopfinger
1994 J jnl
Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors.
J. Chem. Inf. Comput. Sci.
Peter I. Nagy, John Tokarski, Anton J. Hopfinger
1981 J jnl
Computer graphics and the generation of DNA confirmations for intercalation studies.
Comput. Chem.
Nelson L. Max, Deepak Malhorta, Anton J. Hopfinger
1977 J jnl
Molecular mechanics and the CAMSECI processor.
Comput. Chem.
R. Potenzone Jr., Elizabeth Cavicchi, Herschel J. R. Weintraub, Anton J. Hopfinger