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Results: 1-25 | 26-50 | 51-53
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PEPTIDE MODELS .13. SIDE-CHAIN CONFORMATIONAL ENERGY SURFACE E=E(CHI(1), CHI(2)) OF N-FORMYL-L-SERINAMIDE (FOR-L-SER-NH2) IN ITS GAMMA(L) OR C-7(EQ) BACKBONE CONFORMATION
Authors: FARKAS O PERCZEL A MARCOCCIA JF HOLLOSI M CSIZMADIA IG
Citation: O. Farkas et al., PEPTIDE MODELS .13. SIDE-CHAIN CONFORMATIONAL ENERGY SURFACE E=E(CHI(1), CHI(2)) OF N-FORMYL-L-SERINAMIDE (FOR-L-SER-NH2) IN ITS GAMMA(L) OR C-7(EQ) BACKBONE CONFORMATION, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 27-36
SEARCHING FOR THE SIMPLEST STRUCTURAL UNITS TO DESCRIBE THE 3-DIMENSIONAL STRUCTURE OF PROTEINS
Authors: PERCZEL A CSIZMADIA IG
Citation: A. Perczel et Ig. Csizmadia, SEARCHING FOR THE SIMPLEST STRUCTURAL UNITS TO DESCRIBE THE 3-DIMENSIONAL STRUCTURE OF PROTEINS, International reviews in physical chemistry, 14(1), 1995, pp. 127-168
DIAZO-COUPLING REACTIONS OF CYCLOHEPTATRIENOLS - A COMBINED EXPERIMENTAL AND THEORETICAL-STUDY
Authors: LEW CSQ TANG TH CSIZMADIA IG CAPON B
Citation: Csq. Lew et al., DIAZO-COUPLING REACTIONS OF CYCLOHEPTATRIENOLS - A COMBINED EXPERIMENTAL AND THEORETICAL-STUDY, Journal of the Chemical Society, Chemical Communications, (2), 1995, pp. 175-176
AB-INITIO AND DFT INVESTIGATIONS OF INTRAMOLECULAR HYDROGEN-BONDING IN 1,2-ETHANEDIOL
Authors: CSONKA GI ANH N ANGYAN J CSIZMADIA IG
Citation: Gi. Csonka et al., AB-INITIO AND DFT INVESTIGATIONS OF INTRAMOLECULAR HYDROGEN-BONDING IN 1,2-ETHANEDIOL, Chemical physics letters, 245(1), 1995, pp. 129-135
DENSITY-FUNCTIONAL CONFORMATIONAL-ANALYSIS OF 1,2-ETHANEDIOL
Authors: CSONKA GI CSIZMADIA IG
Citation: Gi. Csonka et Ig. Csizmadia, DENSITY-FUNCTIONAL CONFORMATIONAL-ANALYSIS OF 1,2-ETHANEDIOL, Chemical physics letters, 243(5-6), 1995, pp. 419-428
PEPTIDE MODELS .11. SUBSTITUTION EFFECTS ON PEPTIDE CHAINS - THE MAGNITUDE OF SIDE-CHAIN-BACKBONE INTERACTIONS IN OLIGOPEPTIDES HCO-(NHCHRCO)(N)-NH(2)FOR R=CH3 - AN AB-INITIO STUDY
Authors: MCALLISTER MA ENDREDI G VIVIANI W PERCZEL A CSASZAR P LADIK J RIVAIL JL CSIZMADIA IG
Citation: Ma. Mcallister et al., PEPTIDE MODELS .11. SUBSTITUTION EFFECTS ON PEPTIDE CHAINS - THE MAGNITUDE OF SIDE-CHAIN-BACKBONE INTERACTIONS IN OLIGOPEPTIDES HCO-(NHCHRCO)(N)-NH(2)FOR R=CH3 - AN AB-INITIO STUDY, Canadian journal of chemistry, 73(10), 1995, pp. 1563-1572
PEPTIDE MODELS .17. THE ROLE OF THE WATER MOLECULE IN PEPTIDE FOLDING- AN AB-INITIO STUDY ON THE RIGHT-HANDED HELICAL CONFORMATIONS OF N-FORMYLGLYCINAMIDE AND N-FORMYL-L-ALANINAMIDE MONOHYDRATES [H(CONH-CHR-CONH)H-CENTER-DOT-H2O, R=H OR CH3]
Authors: PERCZEL A FARKAS O CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .17. THE ROLE OF THE WATER MOLECULE IN PEPTIDE FOLDING- AN AB-INITIO STUDY ON THE RIGHT-HANDED HELICAL CONFORMATIONS OF N-FORMYLGLYCINAMIDE AND N-FORMYL-L-ALANINAMIDE MONOHYDRATES [H(CONH-CHR-CONH)H-CENTER-DOT-H2O, R=H OR CH3], Journal of the American Chemical Society, 117(5), 1995, pp. 1653-1654
POLYMERIC (NO)(3)(N(2)O)N, (NO)(3)(N(2)O)N(-) - AN INTERPRETATION OF EXPERIMENTAL-OBSERVATIONS(), AND (NO)(3)(N(2)O)N()
Authors: JONES WH CSIZMADIA IG
Citation: Wh. Jones et Ig. Csizmadia, POLYMERIC (NO)(3)(N(2)O)N, (NO)(3)(N(2)O)N(-) - AN INTERPRETATION OF EXPERIMENTAL-OBSERVATIONS(), AND (NO)(3)(N(2)O)N(), Zeitschrift fur Physik. D, Atoms, molecules and clusters, 32(1-2), 1994, pp. 145-152
AB-INITIO GEOMETRY OPTIMIZATION OF THE CL-S(H)OH-CL UNEVEN SULFURANE WITH THE INCLUSION OF ELECTRON CORRELATION
Authors: CSONKA GI LOOS M KUCSMAN A CSIZMADIA IG
Citation: Gi. Csonka et al., AB-INITIO GEOMETRY OPTIMIZATION OF THE CL-S(H)OH-CL UNEVEN SULFURANE WITH THE INCLUSION OF ELECTRON CORRELATION, Journal of molecular structure. Theochem, 121, 1994, pp. 29-33
SPECIAL ISSUE - RECENT ADVANCES IN COMPUTATIONAL SILICON CHEMISTRY - PREFACE
Authors: JANOSCHEK R CSIZMADIA IG
Citation: R. Janoschek et Ig. Csizmadia, SPECIAL ISSUE - RECENT ADVANCES IN COMPUTATIONAL SILICON CHEMISTRY - PREFACE, Journal of molecular structure. Theochem, 119(1), 1994, pp. 180000007-180000007
PEPTIDE MODELS .10. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 6D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-L-ALA-L-ALA-L-ALA-NHME AND FOR-L-ALA-L-ALA-L-ALA-NH2
Authors: CHEUNG M MCGOVERN ME JIN T ZHAO DC MCALLISTER MA FARKAS O PERCZEL A CSASZAR P CSIZMADIA IG
Citation: M. Cheung et al., PEPTIDE MODELS .10. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 6D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-L-ALA-L-ALA-L-ALA-NHME AND FOR-L-ALA-L-ALA-L-ALA-NH2, Journal of molecular structure. Theochem, 115(2), 1994, pp. 151-224
PEPTIDE MODELS .8. THE USE OF A MODIFIED ROMBERG FORMALISM FOR THE EXTRAPOLATION OF MOLECULAR-PROPERTIES FROM OLIGOMERS TO POLYMERS - POLYALANINE DIAMIDE IN ITS EXTENDED LIKE OR (BETA(L))(N) OR (C5)(N) CONFORMATION
Authors: ENDREDI G LIEGENER CM MCALLISTER MA PERCZEL A LADIK J CSIZMADIA IG
Citation: G. Endredi et al., PEPTIDE MODELS .8. THE USE OF A MODIFIED ROMBERG FORMALISM FOR THE EXTRAPOLATION OF MOLECULAR-PROPERTIES FROM OLIGOMERS TO POLYMERS - POLYALANINE DIAMIDE IN ITS EXTENDED LIKE OR (BETA(L))(N) OR (C5)(N) CONFORMATION, Journal of molecular structure. Theochem, 112(1), 1994, pp. 1-7
A THEORETICAL-STUDY OF SUBSTITUTED NORCARADIENE WITH SOME STRONG ELECTRON-WITHDRAWING GROUPS AT POSITION-7
Authors: TANG TH LEW CSQ CUI YP CAPON B CSIZMADIA IG
Citation: Th. Tang et al., A THEORETICAL-STUDY OF SUBSTITUTED NORCARADIENE WITH SOME STRONG ELECTRON-WITHDRAWING GROUPS AT POSITION-7, Journal of molecular structure. Theochem, 111, 1994, pp. 149-164
AB-INITIO STUDY OF THE ENERGY HYPERSURFACE OF UNEVEN SULFURANES - DISSOCIATION OF HCL FROM CL-SH(OH)-CL
Authors: CSONKA GI LOOS M KUCSMAN A CSIZMADIA IG
Citation: Gi. Csonka et al., AB-INITIO STUDY OF THE ENERGY HYPERSURFACE OF UNEVEN SULFURANES - DISSOCIATION OF HCL FROM CL-SH(OH)-CL, Chemical physics letters, 230(1-2), 1994, pp. 203-208
DIFFERENTIAL REACTIVITY OF CARBOHYDRATE HYDROXYLS IN GLYCOSYLATIONS .3. STRUCTURE, STABILITY, AND REACTIVITY OF 2'-DEOXYCYTIDINE MODEL COMPOUND-BF3 COMPLEXES
Authors: TANG TH WHITFIELD DM DOUGLAS SP KREPINSKY JJ CSIZMADIA IG
Citation: Th. Tang et al., DIFFERENTIAL REACTIVITY OF CARBOHYDRATE HYDROXYLS IN GLYCOSYLATIONS .3. STRUCTURE, STABILITY, AND REACTIVITY OF 2'-DEOXYCYTIDINE MODEL COMPOUND-BF3 COMPLEXES, Canadian journal of chemistry, 72(8), 1994, pp. 1803-1815
DIFFERENTIAL REACTIVITY OF CARBOHYDRATE HYDROXYLS IN GLYCOSYLATIONS .2. THE LIKELY ROLE OF INTRAMOLECULAR HYDROGEN-BONDING ON GLYCOSYLATIONREACTIONS - GALACTOSYLATION OF NUCLEOSIDE 5-HYDROXYLS FOR THE SYNTHESES OF NOVEL POTENTIAL ANTICANCER AGENTS
Authors: WHITFIELD DM DOUGLAS SP TANG TH CSIZMADIA IG PANG HYS MOOLTEN FL KREPINSKY JJ
Citation: Dm. Whitfield et al., DIFFERENTIAL REACTIVITY OF CARBOHYDRATE HYDROXYLS IN GLYCOSYLATIONS .2. THE LIKELY ROLE OF INTRAMOLECULAR HYDROGEN-BONDING ON GLYCOSYLATIONREACTIONS - GALACTOSYLATION OF NUCLEOSIDE 5-HYDROXYLS FOR THE SYNTHESES OF NOVEL POTENTIAL ANTICANCER AGENTS, Canadian journal of chemistry, 72(11), 1994, pp. 2225-2238
PEPTIDE MODELS .9. A COMPLETE CONFORMATIONAL SET OF FOR-ALA-ALA-NH2 FROM AB INITO COMPUTATIONS
Authors: PERCZEL A MCALLISTER MA CSASZAR P CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .9. A COMPLETE CONFORMATIONAL SET OF FOR-ALA-ALA-NH2 FROM AB INITO COMPUTATIONS, Canadian journal of chemistry, 72(10), 1994, pp. 2050-2070
CONFORMATIONALLY INDUCED AND CONJUGATIVELY AMPLIFIED DOUBLY DEGENERATE UNEVEN SULFURANES
Authors: INNES EA CSIZMADIA IG RIVAIL JL LOOS M KUCSMAN A
Citation: Ea. Innes et al., CONFORMATIONALLY INDUCED AND CONJUGATIVELY AMPLIFIED DOUBLY DEGENERATE UNEVEN SULFURANES, Canadian journal of chemistry, 72(10), 1994, pp. 2153-2158
CONSTITUTIONALLY SYMMETRICAL, STRUCTURALLY UNEVEN SULFURANES - A THEORETICAL-STUDY
Authors: LOOS M RIVAIL JL KUCSMAN A CSIZMADIA IG
Citation: M. Loos et al., CONSTITUTIONALLY SYMMETRICAL, STRUCTURALLY UNEVEN SULFURANES - A THEORETICAL-STUDY, Phosphorus, sulfur and silicon and the related elements, 74(1-4), 1993, pp. 441-442
PEPTIDE MODELS .4. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 2D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR FOR-GLY-NH2, FOR-L-ALA-NH2, AC-L-ALA-NHME AND FOR-L-VAL-NH2
Authors: MCALLISTER MA PERCZEL A CSASZAR P VIVIANI W RIVAIL JL CSIZMADIA IG
Citation: Ma. Mcallister et al., PEPTIDE MODELS .4. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 2D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR FOR-GLY-NH2, FOR-L-ALA-NH2, AC-L-ALA-NHME AND FOR-L-VAL-NH2, Journal of molecular structure. Theochem, 107(3), 1993, pp. 161-179
PEPTIDE MODELS .5. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 4D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-L-ALA-L-ALA-NHME AND FOR-L-ALA-L-ALA-NH2
Authors: MCALLISTER MA PERCZEL A CSASZAR P CSIZMADIA IG
Citation: Ma. Mcallister et al., PEPTIDE MODELS .5. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 4D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-L-ALA-L-ALA-NHME AND FOR-L-ALA-L-ALA-NH2, Journal of molecular structure. Theochem, 107(3), 1993, pp. 181-198
A COMPLETE SET OF CONFORMATIONAL ELEMENTS DEFINING SECONDARY STRUCTURES OF PROTEINS
Authors: PERCZEL A CSIZMADIA IG
Citation: A. Perczel et Ig. Csizmadia, A COMPLETE SET OF CONFORMATIONAL ELEMENTS DEFINING SECONDARY STRUCTURES OF PROTEINS, Journal of molecular structure. Theochem, 105, 1993, pp. 75-85
CONFORMATIONAL-ANALYSIS AND STRUCTURAL STUDY BY AB-INITIO GRADIENT GEOMETRY OPTIMIZATIONS OF THE MODEL TRIPEPTIDE N-FORMYL L-ALANYL L-ALANINE AMIDE
Authors: VANALSENOY C CAO M NEWTON SQ TEPPEN B PERCZEL A CSIZMADIA IG MOMANY FA SCHAFER L
Citation: C. Vanalsenoy et al., CONFORMATIONAL-ANALYSIS AND STRUCTURAL STUDY BY AB-INITIO GRADIENT GEOMETRY OPTIMIZATIONS OF THE MODEL TRIPEPTIDE N-FORMYL L-ALANYL L-ALANINE AMIDE, Journal of molecular structure. Theochem, 105, 1993, pp. 149-163
SPECIAL ISSUE - SELECTED TOPICS IN BIOMOLECULAR MODELING - PREFACE
Authors: CSIZMADIA IG RIVAIL JL SCHAFER L
Citation: Ig. Csizmadia et al., SPECIAL ISSUE - SELECTED TOPICS IN BIOMOLECULAR MODELING - PREFACE, Journal of molecular structure. Theochem, 105, 1993, pp. 180000009-180000009
CRITICAL-POINTS OF THE CONFORMATIONAL POTENTIAL-ENERGY SURFACE OF CARBONIC-ACID - H2CO3
Authors: JANOSCHEK R CSIZMADIA IG
Citation: R. Janoschek et Ig. Csizmadia, CRITICAL-POINTS OF THE CONFORMATIONAL POTENTIAL-ENERGY SURFACE OF CARBONIC-ACID - H2CO3, Journal of molecular structure, 300, 1993, pp. 637-645
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