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1

AB INITIO STUDIES OF HINDERED ARYL ROTATIONS OF METHAQUALONE, MECLOQUA LONE, AND 3-(2,6-DIFLUOROPHENYL)-2-METHYL-4(3H)-QUINAZOLINONE

Azanli, Erol, Rothchild, Robert, Sapse, Anne-Marie

Journal:

Spectroscopy Letters

Année:

2002

Langue:

english

Fichier:

PDF, 288 KB

english, 2002

2

Theoretical calculations applied to the study of the energetics of reactions of methamphetamine synthesis and to the characterization of reactants, products and by-products

Danielle Sapse, Elise Champeil, Anne-Marie Sapse

Journal:

Comptes Rendus Chimie

Année:

2011

Langue:

english

Fichier:

PDF, 455 KB

english, 2011

3

Ab initio studies of aromatic-aromatic and aromatic-polar interactions in the binding of substrate and inhibitor to dihydrofolate reductase

ANNE-MARIE SAPSE, BARRY S. SCHWEITZER, ADAM P. DICKER, JOSEPH R. BERTINO, VLADIMIR FRECER

Journal:

Chemical Biology & Drug Design

Année:

1992

Langue:

english

Fichier:

PDF, 436 KB

english, 1992

4

A theoretical study of solvation energies of FCH2COO−, FCH2COOH, and F2CHCOO−

Duli C. Jain, Denyse De Gale, Anne-Marie Sapse

Journal:

Journal of Computational Chemistry

Année:

1989

Langue:

english

Fichier:

PDF, 390 KB

english, 1989

5

Solvent effect and librational entropy calculations on N-acetylalanylglycine amide

Anne-Marie Sapse, Duli C. Jain, Denyse De Gale, T. C. Wu

Journal:

Journal of Computational Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 240 KB

english, 1990

6

An ab initio study of the proton affinities of some heteroatomic rings: Imidazole, oxazole, and thiazole

Shahrzad Kabir, Anne-Marie Sapse

Journal:

Journal of Computational Chemistry

Année:

1991

Langue:

english

Fichier:

PDF, 317 KB

english, 1991

7

A theoretical study of weak complexes of acetylene: An energy decomposition analysis

Sid Topiol, Anne-Marie Sapse, Jeffrey Bunce

Journal:

Chemical Physics Letters

Année:

1986

Langue:

english

Fichier:

PDF, 273 KB

english, 1986

8

Ab initio studies of some negative complexes of lithium compounds

Anne-Marie Sapse, Duli C. Jain

Journal:

Chemical Physics Letters

Année:

1990

Langue:

english

Fichier:

PDF, 343 KB

english, 1990

9

An ab initio study of the interaction of DNA fragments with methyllithium

Danielle S. Sapse, Élise Champeil, Jacques Maddaluno, Catherine Fressigné, Anne-Marie Sapse

Journal:

Comptes Rendus Chimie

Année:

2008

Langue:

english

Fichier:

PDF, 461 KB

english, 2008

10

An ab initio study of non-peptide glucagon receptor antagonists

Anne-Marie Sapse, Shannon Lawton, Robert Rothchild, Cecilia G. Unson

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 297 KB

english, 2003

11

Ab initio calculations for N-acetylalanylglycine amide

Anne-Marie Sapse, Scott B. Daniels, Bruce W. Erickson

Journal:

Année:

1988

Langue:

english

Fichier:

PDF, 452 KB

english, 1988

12

Ab initio studies of the reaction between diazonium ions and water

Anne-Marie Sapse, Duli C. Jain

Journal:

Journal of Physical Organic Chemistry

Année:

1993

Langue:

english

Fichier:

PDF, 449 KB

english, 1993

13

Electronic studies of the pyrrolidine molecule with aziridine ring

Anne-Marie Sapse

Journal:

International Journal of Quantum Chemistry

Année:

1980

Langue:

english

Fichier:

PDF, 371 KB

english, 1980

14

Theoretical calculations of properties of some nitrosoureas

Anne-Marie Sapse, Grace Snyder

Journal:

International Journal of Quantum Chemistry

Année:

1983

Langue:

english

Fichier:

PDF, 241 KB

english, 1983

15

Ab initio studies of negative ion-molecule(s) clusters present in the atmosphere. II. OH−(H2O)n for n = 0, 2, 3, 4

Anne-Marie Sapse, Louis Osorio, Grace Snyder

Journal:

International Journal of Quantum Chemistry

Année:

1984

Langue:

english

Fichier:

PDF, 426 KB

english, 1984

16

Ab initio studies of negative ion-molecule(s) clusters present in the atmosphere. III. OH−(CO2)n for n = 1, 2

Anne-Marie Sapse, Louis Osorio, Grace Snyder

Journal:

International Journal of Quantum Chemistry

Année:

1984

Langue:

english

Fichier:

PDF, 306 KB

english, 1984

17

Ab initio studies of arginine and deaminoarginine

Anne-Marie Sapse, Rosalind Strauss

Journal:

International Journal of Quantum Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 267 KB

english, 1990

18

Solvation energies of planar and pseudo-planar molecules

Joseph Malinsky, Alex Karpov, Anne-Marie Sapse

Journal:

Structural Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 350 KB

english, 1990

19

An ab initio study of an oxidative mechanism that forms nitric oxide from theN-hydroxyguanidinium ion

Dennis J. Stuehr, Anne-Marie Sapse, Danielle S. Sapse

Journal:

Structural Chemistry

Année:

1993

Langue:

english

Fichier:

PDF, 374 KB

english, 1993

20

An ab initio study of the attack of a nitrosoiminium ion on formamide as a model for DNA bases

Anne-Marie Sapse, Danielle S. Sapse, Duli C. Jain

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Année:

1994

Langue:

english

Fichier:

PDF, 301 KB

english, 1994

21

An ab initio study of di- and trifluorobenzene–benzene complexes as relevant to carbonic anhydrase II–drug interactions

PoojaP. Chandra, Ahamindra Jain, Anne-Marie Sapse

Journal:

Journal of Molecular Modeling

Année:

2004

Langue:

english

Fichier:

PDF, 225 KB

english, 2004

22

An ab initio study of the guanidinium groups in saxitoxin

Anne-Marie Sapse, Robert Rothchild, Kyu Rhee

Journal:

Journal of Molecular Modeling

Année:

2006

Langue:

english

Fichier:

PDF, 277 KB

english, 2006

23

Theoretical studies of the reduction reaction of the anti-tumor drug FR900482

Anne-Marie Sapse, Duli C. Jain

Journal:

Journal of Molecular Modeling

Année:

2007

Langue:

english

Fichier:

PDF, 151 KB

english, 2007

24

Theoretical studies of the anti-tumor drug FR900482

Anne-Marie Sapse, Robert Rothchild, Duli C. Jain, Gabriel A. Hernandez

Journal:

Journal of Molecular Modeling

Année:

2007

Langue:

english

Fichier:

PDF, 136 KB

english, 2007

25

Lithium bond: H3N---LiOH and H2O---LiNH2 complexes and their interconversions

Anne-Marie Sapse, Krishnan Raghavachari

Journal:

Chemical Physics Letters

Année:

1989

Langue:

english

Fichier:

PDF, 352 KB

english, 1989

26

Amino Acid Alanine Reactivity with the Fingerprint Reagent Ninhydrin. A Detailed Ab Initio Computational Study

Nicholas D.K. Petraco, Gloria Proni, Jennifer J. Jackiw, Anne-Marie Sapse

Journal:

Journal of Forensic Sciences

Année:

2006

Langue:

english

Fichier:

PDF, 365 KB

english, 2006

27

An Ab Initio Study of the Complexes Formed by the Positive Acetylene Ion with the Hydrogen and Nitrogen Molecules and the Argon Atom

Anne-Marie Sapse, Christine Pinto, Duli C. Jain

Journal:

Journal of Cluster Science

Année:

2000

Langue:

english

Fichier:

PDF, 110 KB

english, 2000

28

An Ab Initio Study of C2H2.H2, C2H2.N2, and C2H2.Ar Complexes

Anne-Marie Sapse, Christine Pinto, Duli C. Jain

Journal:

Journal of Cluster Science

Année:

2000

Langue:

english

Fichier:

PDF, 83 KB

english, 2000

29

Ab InitioCalculations for FO3, FO3+, and FO3-Complexes Formed by Fluorine with Ozone

Vladimir Frecer, Duli C. Jain, Anne-Marie Sapse

Journal:

Structural Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 315 KB

english, 1998

30

A Theoretical Study of LiHe+n, NaHe+n, and MgHe+nComplexes, withn=1, 2, 3, 4

Anne-Marie Sapse, Aurora Dumitra, Duli C. Jain

Journal:

Journal of Cluster Science

Année:

2003

Langue:

english

Fichier:

PDF, 164 KB

english, 2003

31

Ab initio study of aspartic and glutamic acid: Supplementary evidence for structural requirements at position 9 for glucagon activity

Anne-Marie Sapse, Mihaly Mezei, Duli C. Jain, Cecille Unson

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1994

Langue:

english

Fichier:

PDF, 645 KB

english, 1994

32

An ab initio study of helium and neon monoionic positive trimers

Anne-Marie Sapse, Kanhai Shukla

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1994

Langue:

english

Fichier:

PDF, 302 KB

english, 1994

33

An ab initio study of the binding of the guanidinium and aminopyrrolydinium ions to thymine

Anne-Marie Sapse, Shahrzad Kabir, Grace Snyder

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1995

Langue:

english

Fichier:

PDF, 362 KB

english, 1995

34

Ab initio calculations on Pro-Ala and Pro-Gly dipeptides

Octavian Antohi, Fred Naider, Anne-Marie Sapse

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1996

Langue:

english

Fichier:

PDF, 827 KB

english, 1996

35

Solvent effect on the conformation of the Hoechst 33258 agent

Anne-Marie Sapse, Mihaly Mezei, Iuli Karakhanov, Duli C. Jain

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1997

Langue:

english

Fichier:

PDF, 497 KB

english, 1997

36

Ab initio calculations on blocked Pro-Ala dipeptides

Octavian Antohi, Anne-Marie Sapse

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1998

Langue:

english

Fichier:

PDF, 882 KB

english, 1998

37

Parameterization of in Vivo Leukemic Cell Populations

Rubinow, S.I., Lebowitz, J.L., Sapse, Anne-Marie

Journal:

Biophysical Journal

Année:

1971

Langue:

english

Fichier:

PDF, 661 KB

english, 1971

38

Models of F·H Contacts Relevant to the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II

DerHovanessian, Ariss, Doyon, Jeffrey B., Jain, Ahamindra, Rablen, Paul R., Sapse, Anne-Marie

Journal:

Organic Letters

Année:

1999

Langue:

english

Fichier:

PDF, 72 KB

english, 1999

39

Synthesis of a major mitomycin C DNA adduct via a triaminomitosene

Champeil, Elise, Paz, Manuel M., Lukasiewicz, Elaan, Kong, Wan S., Watson, Stephanie, Sapse, Anne-Marie

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2012

Langue:

english

Fichier:

PDF, 535 KB

english, 2012

40

Ab Initio Studies of MgNe n + Complexes with n = 1−4

Sapse, Anne-Marie

Journal:

Journal of Physical Chemistry A

Année:

2002

Langue:

english

Fichier:

PDF, 21 KB

english, 2002

41

Semi-Empirical, Ab Initio and Molecular Modeling Studies on the DNA Binding of a Calicheamicinone-Polyamide Conjugate

Sapse, Anne-Marie, Rothchild, Robert, Lown, J. William.

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

2000

Langue:

english

Fichier:

PDF, 150 KB

english, 2000

42

Advances in Molecular Structure Research, Vol. 2 Edited by Magdolna Hargittai (Hungarian Academy of Sciences) and Istvan Hargittai (Budapest Technical University). JAI Press: Greenwich. 1996. ix + 255 pp. $109.50. ISBN 0-7623-0025-6.

Sapse, Anne-Marie

Journal:

Journal of the American Chemical Society

Année:

1998

Langue:

english

Fichier:

PDF, 14 KB

english, 1998

43

Ab Initio Studies of Some Amino Acid Residue Complexes with 4-Mercaptopyridine as a Model for Thymitaq (AG337), an Inhibitor of Thymidylate Synthase

Sapse, Danielle S., Tong, Youzhi, Bertino, Joseph R., Sapse, Anne-Marie

Journal:

Cancer Investigation

Année:

1999

Langue:

english

Fichier:

PDF, 347 KB

english, 1999

44

Quantum chemical studies of alkyldinitrogen species implicated in nitrosamine carcinogenesis

Demeunynck, Martine, Lown, J. William, Sapse, Anne-Marie

Journal:

Canadian Journal of Chemistry

Année:

1989

Langue:

english

Fichier:

PDF, 518 KB

english, 1989

45

Benzoxathiete and related structures: experimental and quantum chemical studies

Naghipur, Ali, Reszka, Krzysztof, Lown, J. William, Sapse, Anne-Marie

Journal:

Canadian Journal of Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 698 KB

english, 1990

46

Ab initio studies on 1,2-oxathietane, Z and E 3,4-dimethyl-1,2-oxathietane, and their products of formal [σ2s + σ2a] cycloreversion

Naghipur, Ali, Lown, J. William, Jain, Duli C., Sapse, Anne-Marie

Journal:

Canadian Journal of Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 321 KB

english, 1988

47

Synthesis of a mitomycin C–lexitropsin hybrid

Champeil, Élise, Sapse, Anne-Marie

Journal:

Comptes Rendus Chimie

Année:

2014

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2014

48

Ab Initio Calculations on (-)-Calicheamicinone and Some of its Reactions Involved in its Activation and Interaction with DNA

Rothchild, Robert, Sapse, Anne-Marie, Balkova, Anna, Lown, J. William.

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

2000

Langue:

english

Fichier:

PDF, 117 KB

english, 2000

49

Theoretical Studies Employing an Ab Initio and Molecular Modeling Combination Method on the DNA Binding of Bis-Benzimidazoles Designed for Bioreductive Activation

Sapse, Anne-Marie, Lown, J. William

Journal:

Journal of Biomolecular Structure and Dynamics

Année:

1998

Langue:

english

Fichier:

PDF, 674 KB

english, 1998

50

An improved model for a three dimensional pure substance with two critical points

Hecht, Charles E., Sapse, Anne-Marie, Shenkin, Peter

Journal:

The Journal of Chemical Physics

Année:

1979

Langue:

english

Fichier:

PDF, 442 KB

english, 1979