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Carol A. Venanzi - Publications

Affiliations: 
New Jersey Institute of Technology, Newark, NJ, United States 
Area:
Pharmaceutical Chemistry, Physical Chemistry, Biochemistry
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36 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2011 Pandit D, Fiorentino A, Bindra S, Venanzi CA. Singular value decomposition analysis of the torsional angles of dopamine reuptake inhibitor GBR 12909 analogs: effect of force field and charges. Journal of Molecular Modeling. 17: 1343-51. PMID 20839021 DOI: 10.1007/S00894-010-0826-1  0.641
2011 Pandit D, Roosma W, Misra M, Gilbert KM, Skawinski WJ, Venanzi CA. Conformational analysis of piperazine and piperidine analogs of GBR 12909: stochastic approach to evaluating the effects of force fields and solvent. Journal of Molecular Modeling. 17: 181-200. PMID 20414792 DOI: 10.1007/S00894-010-0712-X  0.674
2010 Misra M, Shi Q, Ye X, Gruszecka-Kowalik E, Bu W, Liu Z, Schweri MM, Deutsch HM, Venanzi CA. Quantitative structure-activity relationship studies of threo-methylphenidate analogs. Bioorganic & Medicinal Chemistry. 18: 7221-38. PMID 20846865 DOI: 10.1016/J.Bmc.2010.08.034  0.605
2009 Venanzi CA, Bunce JD. Molecular recognition by artificial enzymes: Cyclic urea mimetics of alpha chymotrypsin International Journal of Quantum Chemistry. 28: 69-87. DOI: 10.1002/Qua.560280709  0.421
2009 Weinstein H, Maayani S, Pazhenchevsky B, Venanzi C, Osman R. Molecular determinants for recognition of phencyclidine derivatives at muscarinic cholinergic receptors International Journal of Quantum Chemistry. 24: 309-320. DOI: 10.1002/Qua.560240730  0.369
2007 Banerjee A, Misra M, Pai D, Shih LY, Woodley R, Lu XJ, Srinivasan AR, Olson WK, Davé RN, Venanzi CA. Feature extraction using molecular planes for fuzzy relational clustering of a flexible dopamine reuptake inhibitor. Journal of Chemical Information and Modeling. 47: 2216-27. PMID 17967005 DOI: 10.1021/Ci7001632  0.569
2007 Gilbert KM, Boos TL, Dersch CM, Greiner E, Jacobson AE, Lewis D, Matecka D, Prisinzano TE, Zhang Y, Rothman RB, Rice KC, Venanzi CA. DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methods. Bioorganic & Medicinal Chemistry. 15: 1146-59. PMID 17127069 DOI: 10.1016/J.Bmc.2006.09.070  0.44
2006 Gilbert KM, Venanzi CA. Hierarchical clustering analysis of flexible GBR 12909 dialkyl piperazine and piperidine analogs. Journal of Computer-Aided Molecular Design. 20: 209-25. PMID 16855855 DOI: 10.1007/S10822-006-9046-2  0.358
2006 Fiorentino A, Pandit D, Gilbert KM, Misra M, Dios R, Venanzi CA. Singular value decomposition of torsional angles of analogs of the dopamine reuptake inhibitor GBR 12909. Journal of Computational Chemistry. 27: 609-20. PMID 16470669 DOI: 10.1002/Jcc.20371  0.676
2005 Misra M, Banerjee A, Davé RN, Venanzi CA. Novel feature extraction technique for fuzzy relational clustering of a flexible dopamine reuptake inhibitor. Journal of Chemical Information and Modeling. 45: 610-23. PMID 15921451 DOI: 10.1021/Ci049708D  0.515
2004 Gilbert KM, Skawinski WJ, Misra M, Paris KA, Naik NH, Buono RA, Deutsch HM, Venanzi CA. Conformational analysis of methylphenidate: comparison of molecular orbital and molecular mechanics methods. Journal of Computer-Aided Molecular Design. 18: 719-38. PMID 15865064 DOI: 10.1007/S10822-004-7610-1  0.644
2004 Skawinski WJ, Venanzi TJ, Venanzi CA. A Molecular Orbital Study of Tambjamine E and Analogues The Journal of Physical Chemistry A. 108: 4542-4550. DOI: 10.1021/Jp049758L  0.425
2002 Skawinski WJ, Ofsievich A, Venanzi CA. Structural Chemistry. 13: 73-80. DOI: 10.1023/A:1013425431416  0.313
1997 Kozár T, Venanzi CA. Reconsidering the conformational flexibility of β-cyclodextrin Journal of Molecular Structure-Theochem. 451-468. DOI: 10.1016/S0166-1280(96)04660-X  0.473
1996 Buono RA, Kucharczyk N, Neuenschwander M, Kemmink J, Hwang LY, Fauchère JL, Venanzi CA. Synthesis and conformational analysis by 1H NMR and restrained molecular dynamics simulations of the cyclic decapeptide [Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly]. Journal of Computer-Aided Molecular Design. 10: 213-32. PMID 8808738 DOI: 10.1007/Bf00355044  0.392
1996 Venanzi TJ, Bryant BP, Venanzi CA. Computational analysis of binding affinity and neural response at the L-alanine receptor. Journal of Computer-Aided Molecular Design. 9: 439-47. PMID 8594161 DOI: 10.1007/Bf00124001  0.317
1996 Lay TH, Krasnoperov LN, Venanzi CA, Bozzelli JW, Shokhirev NV. Ab InitioStudy of α-Chlorinated Ethyl Hydroperoxides CH3CH2OOH, CH3CHClOOH, and CH3CCl2OOH:  Conformational Analysis, Internal Rotation Barriers, Vibrational Frequencies, and Thermodynamic Properties The Journal of Physical Chemistry. 100: 8240-8249. DOI: 10.1021/Jp952976H  0.364
1996 Buono RA, Zauhar RJ, Venanzi CA. Ab initio rotational barriers and solvation free energies of fluorinated dimethyl ethers Journal of Molecular Structure: Theochem. 370: 97-133. DOI: 10.1016/S0166-1280(96)04566-6  0.402
1995 Skawinski WJ, Busanic TJ, Ofsievich AD, Venanzi TJ, Luzhkov VB, Venanzi CA. The application of stereolithography to the fabrication of accurate molecular models. Journal of Molecular Graphics. 13: 126-35. PMID 7619788 DOI: 10.1016/0263-7855(95)00001-M  0.327
1995 Luzhkov VB, Venanzi CA. Computer Modeling of Phenyl Acetate Hydrolysis in Water and in Reaction with .beta.-Cyclodextrin: Molecular Orbital Calculations with the Semiempirical AM1 Method and the Langevin Dipole Solvent Model The Journal of Physical Chemistry. 99: 2312-2323. DOI: 10.1021/J100008A012  0.302
1994 Buono RA, Venanzi TJ, Zauhar RJ, Luzhkov VB, Venanzi CA. Molecular Dynamics and Static Solvation Studies of Amiloride Journal of the American Chemical Society. 116: 1502-1513. DOI: 10.1021/Ja00083A039  0.397
1993 Greenberg A, Venanzi CA. Structures and energetics of two bridgehead lactams and their N- and O-protonated forms: an ab initio molecular orbital study Journal of the American Chemical Society. 115: 6951-6957. DOI: 10.1021/Ja00068A064  0.363
1992 Venanzi CA, Plant C, Venanzi TJ. Molecular recognition of amiloride analogs: a molecular electrostatic potential analysis. 1. Pyrazine ring modifications. Journal of Medicinal Chemistry. 35: 1643-9. PMID 1315872 DOI: 10.1021/Jm00087A022  0.389
1992 Wertz DA, Shi C, Venanzi CA. A comparison of distance geometry and molecular dynamics simulation techniques for conformational analysis of ?-cyclodextrin Journal of Computational Chemistry. 13: 41-56. DOI: 10.1002/Jcc.540130106  0.417
1991 Greenberg A, Plant C, Venanzi CA. Ab initio molecular orbital study of 1-methylsilatrane and model compounds Journal of Molecular Structure: Theochem. 234: 291-301. DOI: 10.1016/0166-1280(91)89019-W  0.374
1991 Venanzi CA, Maye PV. An ab initio study of the geometries and rotational barriers of 1-, 2-, and 5-phenylimidazole Structural Chemistry. 2: 493-500. DOI: 10.1007/Bf00672881  0.383
1991 Maye PV, Venanzi CA. Host-guest preorganization and complementarity: A molecular mechanics and molecular dynamics study of cation complexes of a cyclic urea-anisole spherand Journal of Computational Chemistry. 12: 994-1007. DOI: 10.1002/Jcc.540120812  0.339
1991 Venanzi CA, Plant C, Venanzi TJ. A molecular orbital study of amiloride Journal of Computational Chemistry. 12: 850-861. DOI: 10.1002/Jcc.540120710  0.346
1989 Plant C, Venanzi T, Venanzi C. A conformational and electrostatic potential study of amiloride analogs Journal of Molecular Graphics. 7: 182-183. DOI: 10.1016/0263-7855(89)80048-7  0.421
1989 Venanzi CA, Canzius PM, Zhang Z, Bunce JD. A molecular mechanics analysis of molecular recognition by cyclodextrin mimics of ?-chymotrypsin Journal of Computational Chemistry. 10: 1038-1052. DOI: 10.1002/Jcc.540100808  0.343
1988 Venanzi TJ, Venanzi CA. Ab initio molecular electrostatic potentials of perillartine analogues: implications for sweet-taste receptor recognition. Journal of Medicinal Chemistry. 31: 1879-85. PMID 3172123 DOI: 10.1021/Jm00118A003  0.374
1988 Venanzi TJ, Venanzi CA. A molecular electrostatic-potential study of acesulfame Analytica Chimica Acta. 210: 213-218. DOI: 10.1016/S0003-2670(00)83897-0  0.355
1988 Venanzi CA, Namboodiri K. Electrostatic features of molecular recognition by cyclic urea mimics of chymotrypsin Analytica Chimica Acta. 210: 151-162. DOI: 10.1016/S0003-2670(00)83887-8  0.38
1988 Venanzi TJ, Venanzi CA. A conformational study of a biologically active conjugatedsyn-oxime Journal of Computational Chemistry. 9: 67-74. DOI: 10.1002/Jcc.540090109  0.356
1986 VENANZI CA, BUNCE JD. Molecular Recognition by Cyclic Urea Mimetics of ?-Chymotrypsin Annals of the New York Academy of Sciences. 471: 318-320. DOI: 10.1111/J.1749-6632.1986.Tb48054.X  0.321
1985 Liebman MN, Venanzi CA, Weinstein H. Structural analysis of carboxypeptidase A and its complexes with inhibitors as a basis for modeling enzyme recognition and specificity. Biopolymers. 24: 1721-58. PMID 4052582 DOI: 10.1002/Bip.360240906  0.383
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