C. Venanzi

发表

Ab initio rotational barriers and solvation free energies of fluorinated dimethyl ethers

R. Zauhar, R. A. Buono, C. Venanzi, 1996 .

Ab Initio Study of r-Chlorinated Ethyl Hydroperoxides CH3CH2OOH, CH3CHClOOH, and CH3CCl2OOH: Conformational Analysis, Internal Rotation Barriers, Vibrational Frequencies, and Thermodynamic Properties

J. Bozzelli, C. Venanzi, T. Lay, 2022 .

Ab initio molecular orbital study of 1-methylsilatrane and model compounds

A. Greenberg, C. Venanzi, C. Plant, 1991 .

DAT/SERT selectivity of flexible GBR 12909 analogs modeled using 3D-QSAR methods.

K. Rice, R. Rothman, C. Dersch, 2007, Bioorganic & medicinal chemistry.

Quantitative structure-activity relationship studies of threo-methylphenidate analogs.

E. Gruszecka-Kowalik, M. Misra, H. Deutsch, 2010, Bioorganic & medicinal chemistry.

Nature of Intercalator Amiloride−Nucelobase Stacking. An Empirical Potential and ab Initio Electron Correlation Study

D. Bondarev, C. Venanzi, W. Skawinski, 2000 .

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

V. Luzhkov, C. Venanzi, 1995 .

Molecular Models by Laser Stereolithography

C. Venanzi, W. Skawinski, A. D. Ofsievich, 1996 .

Molecular recognition of amiloride analogs: a molecular electrostatic potential analysis. 1. Pyrazine ring modifications.

T. Venanzi, C. Venanzi, C. Plant, 1992, Journal of medicinal chemistry.

The solvent effect in enzyme—substrate interactions: Models of carboxypeptidase

H. Weinstein, E. Clementi, C. Venanzi, 2009 .

Molecular determinants for recognition of phencyclidine derivatives at muscarinic cholinergic receptors

R. Osman, H. Weinstein, S. Maayani, 2009 .

A conformational study of a biologically active conjugated syn‐oxime

T. Venanzi, C. Venanzi, 1988 .

A molecular orbital study of amiloride

T. Venanzi, C. Venanzi, C. Plant, 1991 .

Structures and energetics of two bridgehead lactams and their N- and O-protonated forms: an ab initio molecular orbital study

A. Greenberg, C. Venanzi, 1993 .

Singular value decomposition analysis of the torsional angles of dopamine reuptake inhibitor GBR 12909 analogs: effect of force field and charges

Deepangi Pandit, C. Venanzi, Supreet S. Bindra, 2011, Journal of molecular modeling.

Hierarchical clustering analysis of flexible GBR 12909 dialkyl piperazine and piperidine analogs

Carol A. Venanzi, Kathleen M. Gilbert, K. Gilbert, 2006, J. Comput. Aided Mol. Des..

Singular value decomposition of torsional angles of analogs of the dopamine reuptake inhibitor GBR 12909

Anna Fiorentino, Milind Misra, Rose Dios, 2006, J. Comput. Chem..

Conformational analysis of methylphenidate: comparison of molecular orbital and molecular mechanics methods

Milind Misra, Neelam Naik, Carol A. Venanzi, 2004, J. Comput. Aided Mol. Des..

Reconsidering the conformational flexibility of β-cyclodextrin

T. Kožár, C. Venanzi, 1997 .

A molecular mechanics analysis of molecular recognition by cyclodextrin mimics of α‐chymotrypsin

J. Bunce, Zhifeng Zhang, C. Venanzi, 1989 .

A comparison of distance geometry and molecular dynamics simulation techniques for conformational analysis of β‐cyclodextrin

Carol A. Venanzi, C. Venanzi, David A. Wertz, 1992 .

Molecular recognition by artificial enzymes: Cyclic urea mimetics of alpha chymotrypsin

J. Bunce, C. Venanzi, 2009 .

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]

Carol A. Venanzi, Ronald A. Buono, Nathalie Kucharczyk, 1996, J. Comput. Aided Mol. Des..

Barriers to CC rotation in molecules with CC and CN conjugated bonds: a molecular orbital study

T. Venanzi, C. Venanzi, 1992 .

DESIGN OF CHOLIC ACID MACROCYCLES AS HOSTS FOR MOLECULAR RECOGNITION OF MONOSACCHARIDES

C. Burrows, C. Venanzi, S. M. Evans, 1995 .

Design of cholic acid hosts for molecular recognition of monosaccharides using systematic conformational searching

C. Burrows, C. Venanzi, S. M. Evans, 1994 .

An ab initio study of the geometry and rotational barrier of 4-phenylimidazole

P. Maye, C. Venanzi, 1990 .

An ab initio study of the geometries and rotational barriers of 1-, 2-, and 5-phenylimidazole

P. Maye, C. Venanzi, 1991 .

An ab initio Study of the Geometry and Rotational Barrier of 4- Phenylimidazole.

P. Maye, C. Venanzi, 1991 .

Electrostatic features of molecular recognition by cyclic urea mimics of chymotrypsin

C. Venanzi, K. Namboodiri, 1988 .

Molecular Recognition by Cyclic Urea Mimetics of α‐Chymotrypsin a

J. Bunce, C. Venanzi, 1986 .

Computer-aided design of artificial enzymes: cyclic urea mimetics of alpha-chymotrypsin.

J. Bunce, C. Venanzi, 1986, Enzyme.

Ab Initio Study of α-Chlorinated Ethyl Hydroperoxides CH3CH2OOH, CH3CHClOOH, and CH3CCl2OOH: Conformational Analysis, Internal Rotation Barriers, Vibrational Frequencies, and Thermodynamic Properties

Lev N. Krasnoperov, Carol A. Venanzi, Joseph W. Bozzelli, 1996 .

Feature Extraction Using Molecular Planes for Fuzzy Relational Clustering of a Flexible Dopamine Reuptake Inhibitor

Xiang-Jun Lu, Amit Banerjee, Rajesh N. Davé, 2007, J. Chem. Inf. Model..

Computational analysis of binding affinity and neural response at the l-alanine receptor

Carol A. Venanzi, Thomas J. Venanzi, Bruce P. Bryant, 1995, J. Comput. Aided Mol. Des..

Structural analysis of carboxypeptidase A and its complexes with inhibitors as a basis for modeling enzyme recognition and specificity

H Weinstein, M N Liebman, H. Weinstein, 1985, Biopolymers.

1H and 13C NMR Structural Studies of Amiloride in Cryosolvents

C. Venanzi, W. Skawinski, A. D. Ofsievich, 2002 .

Molecular dynamics and static solvation studies of amiloride

R. Zauhar, V. Luzhkov, T. Venanzi, 1994 .

Conformational analysis of piperazine and piperidine analogs of GBR 12909: stochastic approach to evaluating the effects of force fields and solvent

Deepangi Pandit, M. Misra, K. Gilbert, 2011, Journal of molecular modeling.

Host‐guest preorganization and complementarity: A molecular mechanics and molecular dynamics study of cation complexes of a cyclic urea‐anisole spherand

P. Maye, C. Venanzi, 1991 .

Molecular Mechanics and Conformational Analysis in Drug Design By Gyorgy Keseru and Istvan Kolossvary. Blackwell Science Ltd., Oxford, UK, 1999, 168 pp, ISBN 0-632-05289-9

Bruce Slutsky, Carol A. Venanzi, C. Venanzi, 2000, Journal of chemical information and computer sciences.

Fuzzy clustering in drug design: Application to cocaine abuse

M. Misra, R.N. Dave, A. Banerjee, 2004, IEEE Annual Meeting of the Fuzzy Information, 2004. Processing NAFIPS '04..

Novel Feature Extraction Technique for Fuzzy Relational Clustering of a Flexible Dopamine Reuptake Inhibitor

Amit Banerjee, Rajesh N. Davé, Milind Misra, 2005, J. Chem. Inf. Model..