Paul G. Mezey - researchr alias

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2019

A modified ADMA linear scaling macromolecular method for enhanced detection of induced molecular shape changesZoltan Antal, Paul G. Mezey. jcmse, 19(1):219-227, 2019. [doi]

2017

An alternative to the "Star Path" enhancement of the ADMA linear scaling method for protein modelingPaul G. Mezey, Zoltan Antal. jcc, 38(20):1774-1779, 2017. [doi]

2016

A trigonometrically scaled multiple tiling approach for error reduction of models built from fuzzy fragmentsPaul G. Mezey. jcmse, 16(4):729-732, 2016. [doi]

Iterated similarity sequences and factorial level similarities in databasesPaul G. Mezey. jcmse, 16(4):719-727, 2016. [doi]

On the dimension dependence of the level of optimality of certain multidimensional sampling strategiesPaul G. Mezey. jcmse, 16(4):713-717, 2016. [doi]

2006

The Electronic Structures and Properties of Open-Ended and Capped Carbon NanoneedlesJenna L. Wang, Paul G. Mezey. jcisd, 46(2):801-807, 2006. [doi]

Stability and Electronic Properties of Nitrogen Nanoneedles and NanotubesJenna L. Wang, Gerald H. Lushington, Paul G. Mezey. jcisd, 46(5):1965-1971, 2006. [doi]

2005

2003

Ab initio quality properties for macromolecules using the ADMA approachThomas E. Exner, Paul G. Mezey. jcc, 24(16):1980-1986, 2003. [doi]

2001

Distributions and Averages of Molecular ConformationsPaul G. Mezey. CANDC, 25(1):69-75, 2001. [doi]

1999

Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk AssessmentPaul G. Mezey. jcisd, 39(2):224-230, 1999. [doi]

1998

Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parametersQishi Du, Paul G. Mezey. jcamd, 12(5):451-470, 1998. [doi]

Averaged electron densities for averaged conformationsPaul G. Mezey. jcc, 19(12):1337-1344, 1998. [doi]

Topological methods of molecular shape analysis: Continuum models and discretizationPaul G. Mezey. dimacs 2000: 267-278

1997

Heuristic lipophilicity potential for computer-aided rational drug designQishi Du, Gustavo A. Arteca, Paul G. Mezey. jcamd, 11(5):503-515, 1997. [doi]

1996

1995

Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl PyrimidineP. Duane Walker, Paul G. Mezey, Gerald M. Maggiora, Mark A. Johnson, James D. Petke. jcc, 16(12):1474-1482, 1995.

Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring SystemsP. Duane Walker, Gerald M. Maggiora, Mark A. Johnson, James D. Petke, Paul G. Mezey. jcisd, 35(3):568-578, 1995.

Toward Similarity Measures for Macromolecular Bodies: MEDLA Test Calculations for Substituted Benzene SystemsP. Duane Walker, Paul G. Mezey. jcc, 16(10):1238-1249, 1995.

1994

Iterated similarity sequences and shape ID numbers for moleculesPaul G. Mezey. jcisd, 34(2):244-247, 1994. [doi]

The T-Hull Approach to Shape AnalysisPaul G. Mezey. cccg 1994: 231-236

1993

Shape groups of the electronic isodensity surfaces for small molecules: Shapes of 10-electron hydridesP. Duane Walker, Gustavo A. Arteca, Paul G. Mezey. jcc, 14(10):1172-1183, 1993. [doi]

1992

Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relationsPaul G. Mezey. jcisd, 32(6):650-656, 1992. [doi]

1988

Embedding and characterization of quantum chemical reaction graphs on two-dimensional orientable surfacesFrank Harary, Paul G. Mezey. DAM, 19(1-3):205-214, 1988. [doi]

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