Paul G. Mezey

According to our database, Paul G. Mezey authored at least 30 papers between 1988 and 2019.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2019

A modified ADMA linear scaling macromolecular method for enhanced detection of induced molecular shape changes.

Zoltan Antal, Paul G. Mezey

J. Comput. Methods Sci. Eng., 2019

2017

An alternative to the "Star Path" enhancement of the ADMA linear scaling method for protein modeling.

Paul G. Mezey, Zoltan Antal

J. Comput. Chem., 2017

2016

A trigonometrically scaled multiple tiling approach for error reduction of models built from fuzzy fragments.

Paul G. Mezey

J. Comput. Methods Sci. Eng., 2016

Iterated similarity sequences and factorial level similarities in databases.

Paul G. Mezey

J. Comput. Methods Sci. Eng., 2016

On the dimension dependence of the level of optimality of certain multidimensional sampling strategies.

Paul G. Mezey

J. Comput. Methods Sci. Eng., 2016

2006

The Electronic Structures and Properties of Open-Ended and Capped Carbon Nanoneedles.

Jenna L. Wang, Paul G. Mezey

J. Chem. Inf. Model., 2006

Stability and Electronic Properties of Nitrogen Nanoneedles and Nanotubes.

Jenna L. Wang, Gerald H. Lushington, Paul G. Mezey

J. Chem. Inf. Model., 2006

2005

Graph representations of molecular similarity measures based on topological resolution.

Paul G. Mezey

J. Comput. Methods Sci. Eng., 2005

Stability and Properties of Polyhelicenes and Annelated Fused-Ring Carbon Helices: Models Toward Helical Graphites.

Lijie Wang, Peter Warburton, Zsolt Szekeres, Peter Surjan, Paul G. Mezey

J. Chem. Inf. Model., 2005

Theoretical Derivation of Heuristic Molecular Lipophilicity Potential: A Quantum Chemical Description for Molecular Solvation.

Qishi Du, Peng-Jun Liu, Paul G. Mezey

J. Chem. Inf. Model., 2005

Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives.

Qishi Du, Paul G. Mezey, Kuo-Chen Chou

J. Comput. Chem., 2005

2003

Ab initio quality properties for macromolecules using the ADMA approach.

Thomas E. Exner, Paul G. Mezey

J. Comput. Chem., 2003

2001

Distributions and Averages of Molecular Conformations.

Paul G. Mezey

Comput. Chem., 2001

1999

Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk Assessment.

Paul G. Mezey

J. Chem. Inf. Comput. Sci., 1999

1998

Averaged electron densities for averaged conformations.

Paul G. Mezey

J. Comput. Chem., 1998

Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters.

Qishi Du, Paul G. Mezey

J. Comput. Aided Mol. Des., 1998

Topological methods of molecular shape analysis: Continuum models and discretization.

Paul G. Mezey

Proceedings of the Discrete Mathematical Chemistry, 1998

1997

Heuristic lipophilicity potential for computer-aided rational drug design.

Qishi Du, Gustavo A. Arteca, Paul G. Mezey

J. Comput. Aided Mol. Des., 1997

1996

Palindromic Perimeter Codes and Chirality Properties of Polyhexes.

Milan Randic, Paul G. Mezey

J. Chem. Inf. Comput. Sci., 1996

A High-Resolution Shape-Fragment MEDLA Database for Toxicological Shape Analysis of PAHs.

Paul G. Mezey, Zhigniew Zimpel, Peter Warburton, P. Duane Walker, Donald G. Irvine, D. George Dixon, Bruce M. Greenberg

J. Chem. Inf. Comput. Sci., 1996

Theorems on Molecular Shape-Similarity Descriptors: External T-Plasters and Interior T-Aggregates.

Paul G. Mezey

J. Chem. Inf. Comput. Sci., 1996

A Study of Maximum Unit-circle Caterpillars - Tools for the Study of the Shape of Adsorption Patterns.

Frank Harary, William Randolph, Paul G. Mezey

Discret. Appl. Math., 1996

1995

Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems.

P. Duane Walker, Gerald M. Maggiora, Mark A. Johnson, James D. Petke, Paul G. Mezey

J. Chem. Inf. Comput. Sci., 1995

Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine.

P. Duane Walker, Paul G. Mezey, Gerald M. Maggiora, Mark A. Johnson, James D. Petke

J. Comput. Chem., 1995

Toward Similarity Measures for Macromolecular Bodies: MEDLA Test Calculations for Substituted Benzene Systems.

P. Duane Walker, Paul G. Mezey

J. Comput. Chem., 1995

1994

Iterated similarity sequences and shape ID numbers for molecules.

Paul G. Mezey

J. Chem. Inf. Comput. Sci., 1994

The T-Hull Approach to Shape Analysis.

Paul G. Mezey

Proceedings of the 6th Canadian Conference on Computational Geometry, 1994

1993

Shape groups of the electronic isodensity surfaces for small molecules: Shapes of 10-electron hydrides.

P. Duane Walker, Gustavo A. Arteca, Paul G. Mezey

J. Comput. Chem., 1993

1992

Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relations.

Paul G. Mezey

J. Chem. Inf. Comput. Sci., 1992

1988

Embedding and characterization of quantum chemical reaction graphs on two-dimensional orientable surfaces.

Frank Harary, Paul G. Mezey

Discret. Appl. Math., 1988