A. Sapse

发表

Some Small Peptides

A. Sapse, 2000 .

Theory of unsymmetric polymer–polymer interfaces

E. Helfand, A. Sapse, 1975 .

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

Jennifer J. Jackiw, A. Sapse, G. Proni, 2006, Journal of forensic sciences.

A role of flavonoids in cytochrome c-cardiolipin interactions.

E. Korobkova, U. Maran, A. Sapse, 2021, Bioorganic & medicinal chemistry.

An ab initio study of the guanidinium groups in saxitoxin

A. Sapse, R. Rothchild, K. Rhee, 2006, Journal of molecular modeling.

Theoretical Calculations on Small Amino Acids

A. Sapse, 2000 .

Cytotoxicity, crosslinking and biological activity of three mitomycins.

A. Sapse, Cristina C. Clement, Shu-Yuan Cheng, 2022, Bioorganic chemistry.

Alkyldinitrogen species implicated in the carcinogenic, mutagenic, and anticancer activities of N-nitroso compounds: characterization by nitrogen-15 NMR of nitrogen-15-enriched compounds and analysis of DNA base situselectivity by ab initio calculations

J. Lown,, A. Sapse, S. Chauhan, 1984 .

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

A. Sapse, S. Kabir, 1991 .

The binding of prototype lexitropsins to the minor groove of DNA: quantum chemical studies.

J. Lown,, A. Sapse, W. Feng, 1991, Journal of biomolecular structure & dynamics.

Oligopeptides That Are Anticancer Drugs

A. Sapse, 2000 .

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

A. Sapse, S. Kabir, G. Snyder, 1995 .

Models of F.H contacts relevant to the binding of fluoroaromatic inhibitors to carbonic anhydrase II.

J. Doyon, A. Sapse, P. Rablen, 1999, Organic letters.

A self-consistent field molecular orbital study of hydroxyguanidine.

A. Sapse, G. Snyder, L. Herzig, 1981, Cancer research.

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

J. Lown,, A. Sapse, R. Rothchild, 2000, Journal of biomolecular structure & dynamics.

Ab Initio Studies of the Reaction of Hydrogen Transfer from DNA to the Calicheamicinone Diradical

J. Lown,, A. Sapse, Rohtash Kumar, 2001, Molecular medicine.

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

J. Lown,, A. Sapse, R. Rothchild, 2000, Journal of biomolecular structure & dynamics.

Lithium chemistry : a theoretical and experimental overview

P. Schleyer, A. Sapse, 1995 .

An ab initio study of non-peptide glucagon receptor antagonists

A. Sapse, C. Unson, R. Rothchild, 2003 .

Ab initio studies of the decomposition of nitrosourea in the presence of cations.

A. Sapse, E. B. Allen, L. Fugler-Domenico, 1987, Cancer investigation.

An ab initio study of the heptahydrodiborate (B2H7-) anion

A. Sapse, L. Osorio, 1984 .

An ab initio study of the B2H7− anion

A. Sapse, L. Osorio, 1984 .

Electronic Structure of Bridged Dialuminum Compounds

A. Sapse, E. Singman, J. Howell, 1982 .

Electronic studies of the pyrrolidine molecule with aziridine ring

A. Sapse, 2009 .

Ab initio studies of a proposed mechanism for N‐Nitrosamine formation

A. Sapse, G. Snyder, L. Herzig, 1983 .

Self consistent field MO studies of the vinylguanidinium ion

A. Sapse, A. Santoro, G. Snyder, 1982 .

Ab initioSCF study of guanidine and substituted guanidines

A. Sapse, A. Santoro, G. Snyder, 1981 .

Self‐consistent field calculations on 2‐aminomethyl‐3‐carboxymethyl pyrrole, a substrate analog of PBG deaminase evidence of intramolecular hydrogen bonding

A. Sapse, C. S. Russell, G. Snyder, 1981 .

Ion-induced dipole H−n clusters

A. Sapse, J. Rayez, M. T. Rayez-Meaume, 1979, Nature.

Theoretical calculations of properties of some nitrosoureas

A. Sapse, G. Snyder, 2009 .

An ab initio study of the reaction pathway between a mitomycin fragment model and ammonia

A. Sapse, G. Snyder, 2009 .

Ab initio studies of arginine and deaminoarginine

A. Sapse, R. Strauss, 1990 .

An ab initio study of intermolecular hydrogen bonding between small peptide fragments

D. Cowburn, A. Sapse, L. Fugler, 1986 .

Guanine and adenine-amino acids interactions: An ab initio study

A. Sapse, D. C. Jain, 1986 .

Ab initio studies of the antiviral drug 1-(2-fluoro-2-deoxy-beta-D-arabinofuranosyl) thymine.

A. Sapse, G. Snyder, 1985, Cancer investigation.

Ab initio self-consistent field study of deoxyguanosine

A. Sapse, G. Snyder, 1984 .

Self-consistent-field comparative studies of some nitrosoureas and nitrosamides.

A. Sapse, G. Snyder, L. Osorio, 1984, Cancer research.

Gamma-Aminobutyric Acid (GABA)

A. Sapse, 2000 .

Theoretical studies of the anti-tumor drug FR900482

A. Sapse, R. Rothchild, D. C. Jain, 2007, Journal of molecular modeling.

Molecular orbital calculations for biological systems

A. Sapse, 1998 .

Theoretical studies using an ab initio and molecular modelling combination method on the binding of sequence recognition altered bis-benzimidazoles to the minor groove of DNA.

J. Lown,, A. Sapse, D. C. Jain, 1997, Journal of biomolecular structure & dynamics.

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

A. Sapse, C. Fressigné, J. Maddaluno, 2008 .

AB INITIO STUDIES OF HINDERED ROTATION OF SOME AROMATIC RINGS IN N-2,6-DIFLUOROPHENYL IMIDES AND UNSUBSTITUTED BRIDGEHEAD PHENYLS

A. Sapse, R. Rothchild, Bryan A. Langowski, 2001 .

Ab initio studies of F−(H2O)n and Cl−(H2O)n clusters for n = 1, 2

A. Sapse, D. C. Jain, 1985 .

Theoretical studies of the binding of methylamine and guanidine to carboxylate

A. Sapse, C. S. Russell, 1986 .

The .gamma. turn: ab initio calculations on proline and N-acetylproline amide

B. W. Erickson, S. Daniels, A. Sapse, 1987 .

Ab initio studies of weakly bound complexes between some nonpolar molecules and hydrogen fluoride

A. Sapse, 1983 .

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

F. Naider, A. Sapse, O. Antohi, 1996 .

Ab initio calculations for N-acetylalanylglycine amide

B. W. Erickson, S. Daniels, A. Sapse, 1988 .

The γ Turn: Ab initio Calculations on Proline and N-Acetylproline Amide

B. W. Erickson, S. Daniels, A. Sapse, 1987 .

SO2...HF. An ab initio study

A. Sapse, J. Howell, M. Friedlander, 1983 .

Ab initio SCF calculations of NO2-(H2O)n and NO3-(H2O)n clusters

A. Sapse, E. Singman, Eric L. Singman, 1982 .

Ab initio calculations of the lithium(+) and sodium(+) affinities of aziridine and ethylene oxide rings

J. Bunce, A. Sapse, D. C. Jain, 1984 .

Mechanism of interstrand cross-linking of DNA by anticancer 2-haloethylnitrosoureas.

U. Bhat, J. Lown,, A. Sapse, 1986, Drugs under experimental and clinical research.

Clusters of ionic molecules: octahedral vs. planar ring structures of lithium fluoride, lithium hydroxide and lithium amide hexamers

K. Raghavachari, A. Sapse, D. C. Jain, 1987 .

Theoretical studies of lithium fluoride, lithium hydroxide, and lithium amide tetramers

K. Raghavachari, P. Schleyer, A. Sapse, 1985 .

Structures and energies of lithium amide dimers and trimers: an ab initio study

P. Schleyer, R. Gleiter, A. Sapse, 1984 .

Quantum chemical studies of the products of decomposition of anticancer (2-haloethyl)nitrosoureas under physiological conditions

J. Lown,, A. Sapse, E. B. Allen, 1988 .

Theoretical Studies of LiF, LiOH, and LiNH2Tetramers.

K. Raghavachari, P. Schleyer, A. Sapse, 1986 .

Structures and Energies of Lithium Amide Dimers and Trimers: An ab initio Study.

P. Schleyer, R. Gleiter, A. Sapse, 1984 .

Clusters of Ionic Molecules: Octahedral vs. Planar Ring Structures of LiF, LiOH, and LiNH2 Hexamers.

K. Raghavachari, A. Sapse, D. C. Jain, 1987 .

Formation of benzoxathiete under mild conditions and its valence tautomerism in solution to monothio-o-benzoquinone: an experimental and quantum chemical study

J. Lown,, A. Sapse, K. Reszka, 1989 .

Synthesis of Mitomycin C and Decarbamoylmitomycin C N(2) deoxyguanosine-adducts.

A. Sapse, Shu-Yuan Cheng, M. Paz, 2016, Bioorganic chemistry.

Synthesis of a major mitomycin C DNA adduct via a triaminomitosene.

A. Sapse, M. Paz, Elise Champeil, 2012, Bioorganic & medicinal chemistry letters.

Acetone promoted 1,4-migration of an alkoxycarbonyl group on a syn-1,2-diamine.

A. Sapse, Shu-Yuan Cheng, M. Paz, 2017, Tetrahedron letters.

Synthesis of a mitomycin C–lexitropsin hybrid

A. Sapse, Elise Champeil, 2014 .

Ab initio studies of some hydrocarbon complexes with hydrogen fluoride

A. Sapse, D. C. Jain, 1984 .

Theoretical studies of a lithiated mitomycin analog

J. Bunce, A. Sapse, 1985 .

The complexes of phenyl acetylene with HF, H2O, and NH3: An ab initio study

A. Sapse, D. C. Jain, 1988 .

An ab initio study of ammonia-hydrocarbon complexes

A. Sapse, D. C. Jain, 1986 .

Ab initio studies of the reaction between diazonium ions and water

A. Sapse, D. C. Jain, 1993 .

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

A. Sapse, D. C. Jain, Aurora Dumitra, 2003 .

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

A. Sapse, D. Sapse, Elise Champeil, 2011 .

Ab initio study of argon and nitrogen ionic clusters

A. Sapse, V. Frecer, D. C. Jain, 1991 .

Augmented van der Waals Theory for Mixtures

B. Alder, A. Sapse, C. E. Hecht, 1970 .

Ab initio studies of the CO2–HF and N2O–HF complexes

A. Sapse, J. Howell, 1983 .

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

J. Bertino, A. Dicker, A. Sapse, 2009, International journal of peptide & protein research.

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

J. Bunce, A. Sapse, S. Topiol, 1986 .

Guanidinium ion: SCF calculations

A. Sapse, L. Massa, 1980 .

Ab initio studies of γ-aminobutyric acid (GABA), γ-aminobutyric acid imine (GABA imine) and aminooxyacetic acid (AOAA)

A. Sapse, C. S. Russell, E. A. Debler, 1988 .

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

A. Sapse, A. Jain, P. P. Chandra, 2004, Journal of molecular modeling.

Ab initio studies of 2,4-diamino triazine and its complexes with ligands: a model for inhibitor-active site interactions of dihydrofolate reductase.

M. Waltham, J. Bertino, A. Sapse, 1994, Cancer investigation.

Tight Turns in Proteins

A. Sapse, 2000 .

Solvent effect and librational entropy calculations on N‐acetylalanylglycine amide

A. Sapse, D. C. Jain, Denyse De Gale, 1990 .

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

A. Sapse, D. C. Jain, 2006, Journal of molecular modeling.

The Alpha Factor

A. Sapse, 2000 .

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

A. Sapse, G. Snyder, L. Osorio, 1984 .

Ab initio calculations of guanidinium-carboxylate interaction

A. Sapse, C. S. Russell, 1984 .

Guanidinium ion self-consistent field calculations: fluoro, amino, and methyl single substituents

A. Sapse, A. Santoro, L. Herzig, 1981 .

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

A. Sapse, D. C. Jain, C. Pinto, 2000 .

The Role of Salt Bridge Formation in Glucagon: An Experimental and Theoretical Study of Glucagon Analogs and Peptide Fragments of Glucagon

A. Sapse, C. Unson, R. Rothchild, 2002, Molecular medicine.

Ab initio studies of methyllithium clusters

A. Sapse, E. Singman, J. Howell, 1982 .

Theoretical studies employing an ab initio and molecular modeling combination method on the DNA binding of bis-benzimidazoles designed for bioreductive activation.

J. Lown,, A. Sapse, 1998, Journal of biomolecular structure & dynamics.

Phase-separation temperatures for solid isotopic mixtures

A. Sapse, C. E. Hecht, 1969 .

Solvent‐Effect investigations through the use of an extended born equation

J. Gersten, A. Sapse, 1985 .

Quantum chemical studies of alkyldinitrogen species implicated in nitrosamine carcinogenesis

J. Lown,, A. Sapse, M. Demeunynck, 1989 .

Amide isosteres of lexitropsins: synthesis, DNA binding characteristics and sequence selectivity of thioformyldistamycin.

T. Joseph, J. Lown,, J. Zimmermann, 1991, Journal of biomolecular structure & dynamics.

Taurine and Hypotaurine

A. Sapse, 2000 .

Ab Initio Studies of Some Acids and Basic Amino Acids: Aspartic, Glutamic, Arginine, and Deaminoarginine

A. Sapse, 2000 .

Ab initio studies of the NF2Li and NHLi2 dimers

A. Sapse, D. C. Jain, 1984 .

Ab Initio Calculations Related to Glucagon

A. Sapse, 2000 .

Quantum chemical studies employing an ab initio combination approach on the binding of the bis-benzimidazole Hoechst 33258 to the minor groove of DNA.

J. Lown,, A. Sapse, D. Sapse, 1995, Journal of biomolecular structure & dynamics.

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

A. Sapse, D. Stuehr, D. Sapse, 1993 .

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

A. Sapse, D. C. Jain, Denyse De Gale, 1989 .

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

A. Sapse, R. Rothchild, Erol Azanli, 2002 .

Method of Calculation of a Shape Parameter for Ovaloid Molecules

A. Sapse, P. Shenkin, 1976 .

Validity of the Geometric Model of Ovaloid Polymers Based on Simpler Molecules

A. Sapse, R. H. Wiley, 1975 .

Parameterization of in vivo leukemic cell populations.

S. I. Rubinow, J. Lebowitz, A. Sapse, 1971, Biophysical Journal.

Generalization of the Born equation to nonspherical solvent cavities

J. Gersten, A. Sapse, 1985 .

Solvation energies of planar and pseudo-planar molecules

A. Sapse, J. Malinsky, A. Karpov, 1990 .

Synthesis of Mitomycin C and Decarbamoylmitomycin C N(2) deoxyguanosine-adducts.

A. Sapse, Shu-Yuan Cheng, M. Paz, 2016, Bioorganic chemistry.

Molecular recognition and binding of a GC site-avoiding thiazole-lexitropsin to the decadeoxyribonucleotide d-[CGCAATTGCG]2: 1H-NMR evidence for thiazole intercalation.

S. Kumar, J. Zimmermann, A. Sapse, 1990, Journal of biomolecular structure & dynamics.