Molecular mechanics and the CAMSECI processor. - R. Potenzone Jr.; Elizabeth Cavicchi; Herschel J. R. Weintraub; Anton J. Hopfinger (Comput. Chem., 1977)

Computer graphics and the generation of DNA confirmations for intercalation studies. - Nelson L. Max; Deepak Malhorta; Anton J. Hopfinger (Comput. Chem., 1981)

A Proposed Common Spatial Pharmacophore and the Corresponding Active Conformations of Some TxA2 Receptor Antagonists. - B. Jin; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1994)

Molecular Shape and QSAR Analyses of a Family of Substituted Dichlorodiphenyl Aromatase Inhibitors. - Peter I. Nagy; John Tokarski; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1994)

Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships. - David Rogers; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1994)

A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis. - K.-B. Rhyu; H. C. Patel; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1995)

Conformational Analysis, Molecular Shape Comparison, and Pharmacophore Identification of Different Allosteric Modulators of Muscarinic Receptors. - Ulrike Holzgrabe; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1996)

A 3D-QSAR Study of Anticoccidial Triazines Using Molecular Shape Analysis [J. Chem. Inf. Comput. Sci 35, 771-778 (1995)]. - K.-B. Rhyu; H. C. Patel; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1996)

Constructing Protein Models for Ligand-Receptor Binding Thermodynamic Simulations: An Application to a Set of Peptidometic Renin Inhibitors. - J. S. Tokarski; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1997)

Prediction of Ligand-Receptor Binding Thermodynamics by Free Energy Force Field (FEFF) 3D-QSAR Analysis: Application to a Set of Peptidometic Renin Inhibitors. - J. S. Tokarski; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1997)

Four-Dimensional Quantitative Structure-Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor Antagonists. - Magaly G. Albuquerque; Anton J. Hopfinger; Eliezer J. Barreiro; Ricardo B. de Alencastro (J. Chem. Inf. Comput. Sci., 1998)

Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b. - Anton J. Hopfinger; Andrea Reaka; Prabha Venkatarangan; José S. Duca; Shen Wang (J. Chem. Inf. Comput. Sci., 1999)

Prediction of Ligand-Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase. - Prabha Venkatarangan; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 1999)

A search for sources of drug resistance by the 4D-QSAR analysis of a set of antimalarial dihydrofolate reductase inhibitors. - Osvaldo Andrade Santos-Filho; Anton J. Hopfinger (J. Comput. Aided Mol. Des., 2001)

Free energy force field (FEFF) 3D-QSAR analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors. - Osvaldo Andrade Santos-Filho; Rama K. Mishra; Anton J. Hopfinger (J. Comput. Aided Mol. Des., 2001)

Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation. - José S. Duca; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 2001)

4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling. - Malini Ravi; Anton J. Hopfinger; Robert E. Hormann; Laurence Dinan (J. Chem. Inf. Comput. Sci., 2001)

Predicting Caco-2 Cell Permeation Coefficients of Organic Molecules Using Membrane-Interaction QSAR Analysis. - Amit Kulkarni; Yi Han; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 2002)

3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis. - Xuan Hong; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 2003)

4D-QSAR Analysis of a Series of Antifungal P450 Inhibitors and 3D-Pharmacophore Comparisons as a Function of Alignment. - Jianzhong Liu; Dahua Pan; Yufeng J. Tseng; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 2003)

Quantitative Structure-Based Design: Formalism and Application of Receptor-Dependent RD-4D-QSAR Analysis to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase. - Dahua Pan; Yufeng J. Tseng; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 2003)

Receptor-Independent 4D-QSAR Analysis of a Set of Norstatine Derived Inhibitors of HIV-1 Protease. - Craig L. Senese; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 2003)

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. - Craig L. Senese; Anton J. Hopfinger (J. Chem. Inf. Comput. Sci., 2003)

Constructing Optimum Blood Brain Barrier QSAR Models Using a Combination of 4D-Molecular Similarity Measures and Cluster Analysis. - Dahua Pan; Manisha Iyer; Jianzhong Liu; Yi Li; Anton J. Hopfinger (J. Chem. Inf. Model., 2004)

4D-Fingerprints, Universal QSAR and QSPR Descriptors. - Craig L. Senese; José S. Duca; Dahua Pan; Anton J. Hopfinger; Yufeng J. Tseng (J. Chem. Inf. Model., 2004)

Prediction of plasma protein binding of drugs using Kier-Hall valence connectivity indices and 4D-fingerprint molecular similarity analyses. - Jianzhong Liu; Liu Yang; Yi Li; Dahua Pan; Anton J. Hopfinger (J. Comput. Aided Mol. Des., 2005)

Construction of 4D-QSAR Models for Use in the Design of Novel p38-MAPK Inhibitors. - Nelilma Correia Romeiro; Magaly G. Albuquerque; Ricardo B. de Alencastro; Malini Ravi; Anton J. Hopfinger (J. Comput. Aided Mol. Des., 2005)

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. - Osvaldo Andrade Santos-Filho; Anton J. Hopfinger (J. Chem. Inf. Model., 2006)

Treating Chemical Diversity in QSAR Analysis: Modeling Diverse HIV-1 Integrase Inhibitors Using 4D Fingerprints. - Manisha Iyer; Anton J. Hopfinger (J. Chem. Inf. Model., 2007)

QSAR Analyses of Skin Penetration Enhancers. - Manisha Iyer; Tao Zheng; Anton J. Hopfinger; Yufeng J. Tseng (J. Chem. Inf. Model., 2007)

Categorical QSAR models for skin sensitization based on local lymph node assay measures and both ground and excited state 4D-fingerprint descriptors. - Jianzhong Liu; Petra Kern; G. Frank Gerberick; Osvaldo Andrade Santos-Filho; Emilio Xavier Esposito; Anton J. Hopfinger; Yufeng J. Tseng (J. Comput. Aided Mol. Des., 2008)

Membrane-Interaction Quantitative Structure-Activity Relationship (MI-QSAR) Analyses of Skin Penetration Enhancers. - Tao Zheng; Anton J. Hopfinger; Emilio Xavier Esposito; Jianzhong Liu; Yufeng J. Tseng (J. Chem. Inf. Model., 2008)

Rational Design and 3D-Pharmacophore Mapping of 5′-Thiourea-Substituted α-Thymidine Analogues as Mycobacterial TMPK Inhibitors. - Carolina Horta Andrade; Kerly F. M. Pasqualoto; Elizabeth I. Ferreira; Anton J. Hopfinger (J. Chem. Inf. Model., 2009)

Findings of the Challenge To Predict Aqueous Solubility. - Anton J. Hopfinger; Emilio Xavier Esposito; Antonio Llinàs; Robert C. Glen; Jonathan M. Goodman (J. Chem. Inf. Model., 2009)

3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer Cells. - Poonsiri Thipnate; Jianzhong Liu; Supa Hannongbua; Anton J. Hopfinger (J. Chem. Inf. Model., 2009)

3D-Pharmacophore mapping of thymidine-based inhibitors of TMPK as potential antituberculosis agents. - Carolina Horta Andrade; Kerly F. M. Pasqualoto; Elizabeth I. Ferreira; Anton J. Hopfinger (J. Comput. Aided Mol. Des., 2010)

In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage. - Bo-Han Su; Meng-yu Shen; Emilio Xavier Esposito; Anton J. Hopfinger; Yufeng J. Tseng (J. Chem. Inf. Model., 2010)

The great descriptor melting pot: mixing descriptors for the common good of QSAR models. - Yufeng J. Tseng; Anton J. Hopfinger; Emilio Xavier Esposito (J. Comput. Aided Mol. Des., 2012)

Dependence of QSAR Models on the Selection of Trial Descriptor Sets: A Demonstration Using Nanotoxicity Endpoints of Decorated Nanotubes. - Chi-Yu Shao; Sing-Zuo Chen; Bo-Han Su; Yufeng J. Tseng; Emilio Xavier Esposito; Anton J. Hopfinger (J. Chem. Inf. Model., 2013)