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Paul G. Mezey
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2010 – 2019
- 2019
- [j28]Zoltan Antal, Paul G. Mezey:
A modified ADMA linear scaling macromolecular method for enhanced detection of induced molecular shape changes. J. Comput. Methods Sci. Eng. 19(1): 219-227 (2019) - 2017
- [j27]Paul G. Mezey, Zoltan Antal
:
An alternative to the "Star Path" enhancement of the ADMA linear scaling method for protein modeling. J. Comput. Chem. 38(20): 1774-1779 (2017) - 2016
- [j26]Paul G. Mezey:
On the dimension dependence of the level of optimality of certain multidimensional sampling strategies. J. Comput. Methods Sci. Eng. 16(4): 713-717 (2016) - [j25]Paul G. Mezey:
Iterated similarity sequences and factorial level similarities in databases. J. Comput. Methods Sci. Eng. 16(4): 719-727 (2016) - [j24]Paul G. Mezey:
A trigonometrically scaled multiple tiling approach for error reduction of models built from fuzzy fragments. J. Comput. Methods Sci. Eng. 16(4): 729-732 (2016)
2000 – 2009
- 2006
- [j23]Jenna L. Wang, Paul G. Mezey:
The Electronic Structures and Properties of Open-Ended and Capped Carbon Nanoneedles. J. Chem. Inf. Model. 46(2): 801-807 (2006) - [j22]Jenna L. Wang, Gerald H. Lushington
Stability and Electronic Properties of Nitrogen Nanoneedles and Nanotubes. J. Chem. Inf. Model. 46(5): 1965-1971 (2006) - 2005
- [j21]Qishi Du, Paul G. Mezey, Kuo-Chen Chou:
Heuristic molecular lipophilicity potential (HMLP): A 2D-QSAR study to LADH of molecular family pyrazole and derivatives. J. Comput. Chem. 26(5): 461-470 (2005) - [j20]Qishi Du, Peng-Jun Liu, Paul G. Mezey:
Theoretical Derivation of Heuristic Molecular Lipophilicity Potential: A Quantum Chemical Description for Molecular Solvation. J. Chem. Inf. Model. 45(2): 347-353 (2005) - [j19]Lijie Wang, Peter Warburton
Stability and Properties of Polyhelicenes and Annelated Fused-Ring Carbon Helices: Models Toward Helical Graphites. J. Chem. Inf. Model. 45(4): 850-855 (2005) - [j18]Paul G. Mezey:
Graph representations of molecular similarity measures based on topological resolution. J. Comput. Methods Sci. Eng. 5(1): 109-114 (2005) - 2003
- [j17]Thomas E. Exner
Ab initio quality properties for macromolecules using the ADMA approach. J. Comput. Chem. 24(16): 1980-1986 (2003) - 2001
- [j16]Paul G. Mezey:
Distributions and Averages of Molecular Conformations. Comput. Chem. 25(1): 69-75 (2001)
1990 – 1999
- 1999
- [j15]Paul G. Mezey:
Holographic Electron Density Shape Theorem and Its Role in Drug Design and Toxicological Risk Assessment. J. Chem. Inf. Comput. Sci. 39(2): 224-230 (1999) - 1998
- [j14]Qishi Du, Paul G. Mezey:
Heuristic lipophilicity potential for computer-aided rational drug design: Optimizations of screening functions and parameters. J. Comput. Aided Mol. Des. 12(5): 451-470 (1998) - [j13]Paul G. Mezey:
Averaged electron densities for averaged conformations. J. Comput. Chem. 19(12): 1337-1344 (1998) - [c2]Paul G. Mezey:
Topological methods of molecular shape analysis: Continuum models and discretization. Discrete Mathematical Chemistry 1998: 267-278 - 1997
- [j12]Qishi Du, Gustavo A. Arteca, Paul G. Mezey:
Heuristic lipophilicity potential for computer-aided rational drug design. J. Comput. Aided Mol. Des. 11(5): 503-515 (1997) - 1996
- [j11]Frank Harary, William Randolph, Paul G. Mezey:
A Study of Maximum Unit-circle Caterpillars - Tools for the Study of the Shape of Adsorption Patterns. Discret. Appl. Math. 67(1-3): 127-135 (1996) - [j10]Paul G. Mezey, Zhigniew Zimpel, Peter Warburton, P. Duane Walker, Donald G. Irvine, D. George Dixon, Bruce M. Greenberg:
A High-Resolution Shape-Fragment MEDLA Database for Toxicological Shape Analysis of PAHs. J. Chem. Inf. Comput. Sci. 36(3): 602-611 (1996) - [j9]Paul G. Mezey:
Theorems on Molecular Shape-Similarity Descriptors: External T-Plasters and Interior T-Aggregates. J. Chem. Inf. Comput. Sci. 36(6): 1076-1081 (1996) - [j8]Milan Randic, Paul G. Mezey:
Palindromic Perimeter Codes and Chirality Properties of Polyhexes. J. Chem. Inf. Comput. Sci. 36(6): 1183-1186 (1996) - 1995
- [j7]P. Duane Walker, Paul G. Mezey:
Toward Similarity Measures for Macromolecular Bodies: MEDLA Test Calculations for Substituted Benzene Systems. J. Comput. Chem. 16(10): 1238-1249 (1995) - [j6]P. Duane Walker, Paul G. Mezey, Gerald M. Maggiora, Mark A. Johnson, James D. Petke:
Application of the Shape Group Method to Conformation Processes: Shape and Conjugation Changes in the Conformers of 2-Phenyl Pyrimidine. J. Comput. Chem. 16(12): 1474-1482 (1995) - [j5]P. Duane Walker, Gerald M. Maggiora, Mark A. Johnson, James D. Petke, Paul G. Mezey:
Shape Group Analysis of Molecular Similarity: Shape Similarity of Six-Membered Aromatic Ring Systems. J. Chem. Inf. Comput. Sci. 35(3): 568-578 (1995) - 1994
- [j4]Paul G. Mezey:
Iterated similarity sequences and shape ID numbers for molecules. J. Chem. Inf. Comput. Sci. 34(2): 244-247 (1994) - [c1]Paul G. Mezey:
The T-Hull Approach to Shape Analysis. CCCG 1994: 231-236 - 1993
- [j3]P. Duane Walker, Gustavo A. Arteca, Paul G. Mezey:
Shape groups of the electronic isodensity surfaces for small molecules: Shapes of 10-electron hydrides. J. Comput. Chem. 14(10): 1172-1183 (1993) - 1992
- [j2]Paul G. Mezey:
Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relations. J. Chem. Inf. Comput. Sci. 32(6): 650-656 (1992)
1980 – 1989
- 1988
- [j1]Frank Harary, Paul G. Mezey:
Embedding and characterization of quantum chemical reaction graphs on two-dimensional orientable surfaces. Discret. Appl. Math. 19(1-3): 205-214 (1988)
Coauthor Index
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