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Results: 1-25 | 26-50 | 51-53
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THEORETICAL-STUDY OF ALTERNATIVE RING FORMS OF ALPHA-L-FUCOPYRANOSE
Authors: CSONKA GI ELIAS K KOLOSSVARY I SOSA CP CSIZMADIA IG
Citation: Gi. Csonka et al., THEORETICAL-STUDY OF ALTERNATIVE RING FORMS OF ALPHA-L-FUCOPYRANOSE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(7), 1998, pp. 1219-1229
STRUCTURE AND STABILITY OF AMMONIUM-SULFATE AND GUANIDIUM-SULFATE COMPLEX
Authors: FANG DC FABIAN P SZEKELY Z FU XY TANG TH CSIZMADIA IG
Citation: Dc. Fang et al., STRUCTURE AND STABILITY OF AMMONIUM-SULFATE AND GUANIDIUM-SULFATE COMPLEX, Journal of molecular structure. Theochem, 430, 1998, pp. 161-170
AB-INITIO MODELING OF PEPTIDE BIOSYNTHESIS
Authors: FANG DC FU XY TANG TH CSIZMADIA IG
Citation: Dc. Fang et al., AB-INITIO MODELING OF PEPTIDE BIOSYNTHESIS, Journal of molecular structure. Theochem, 427, 1998, pp. 243-252
AB-INITIO AND DENSITY-FUNCTIONAL STUDY OF THE CONFORMATIONAL SPACE OFC-1(4) (ALPHA-L-FUCOSE)
Authors: CSONKA GI ELIAS K CSIZMADIA IG
Citation: Gi. Csonka et al., AB-INITIO AND DENSITY-FUNCTIONAL STUDY OF THE CONFORMATIONAL SPACE OFC-1(4) (ALPHA-L-FUCOSE), Journal of computational chemistry, 18(3), 1997, pp. 330-342
CARBOHYDRATE MODELING, PAST, PRESENT AND FUTURE
Authors: FRENCH AD CSIZMADIA IG
Citation: Ad. French et Ig. Csizmadia, CARBOHYDRATE MODELING, PAST, PRESENT AND FUTURE, Journal of molecular structure. Theochem, 395, 1997, pp. 11-12
THE CONFORMATIONAL SPACE OF SELECTED ALDO-PYRANO-HEXOSES
Authors: CSONKA GI KOLOSSVARY I CSASZAR P ELIAS K CSIZMADIA IG
Citation: Gi. Csonka et al., THE CONFORMATIONAL SPACE OF SELECTED ALDO-PYRANO-HEXOSES, Journal of molecular structure. Theochem, 395, 1997, pp. 29-40
AN AB-INITIO STUDY ON SELECTED MODELS OF 1,2-CIS-CYCLIC AND 1,2-TRANS-CYCLIC CARBAMATES OF GLUCOPYRANOSYL AMINE
Authors: PAIZS B PINTER I KOVACS J VIVIANI W MARSURA A FRIANTMICHEL P CSIZMADIA IG
Citation: B. Paizs et al., AN AB-INITIO STUDY ON SELECTED MODELS OF 1,2-CIS-CYCLIC AND 1,2-TRANS-CYCLIC CARBAMATES OF GLUCOPYRANOSYL AMINE, Journal of molecular structure. Theochem, 395, 1997, pp. 41-52
PEPTIDE MODELS .15. THE EFFECT OF BASIS-SET SIZE INCREASE AND ELECTRON CORRELATION ON SELECTED MINIMA OF THE AB-INITIO 2D-RAMACHANDRAN MAP OF FOR-GLY-NH2 AND FOR-L-ALA-NH2
Authors: ENDREDI G PERCZEL A FARKAS O MCALLISTER MA CSONKA GI LADIK J CSIZMADIA IG
Citation: G. Endredi et al., PEPTIDE MODELS .15. THE EFFECT OF BASIS-SET SIZE INCREASE AND ELECTRON CORRELATION ON SELECTED MINIMA OF THE AB-INITIO 2D-RAMACHANDRAN MAP OF FOR-GLY-NH2 AND FOR-L-ALA-NH2, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 15-26
THEORETICAL-STUDY ON THE CONFORMATIONS OF 3-TIGLOYL-AZADIRACHTOL AND AZADIRACHTIN DERIVATIVES
Authors: BALDONI HA ENRIZ RD JAUREGUI EA CSIZMADIA IG
Citation: Ha. Baldoni et al., THEORETICAL-STUDY ON THE CONFORMATIONS OF 3-TIGLOYL-AZADIRACHTOL AND AZADIRACHTIN DERIVATIVES, Journal of molecular structure. Theochem, 391(1-2), 1997, pp. 27-38
PEPTIDE MODELS .14. AB-INITIO STUDY ON THE ROLE OF SIDE-CHAIN BACKBONE INTERACTION STABILIZING THE BUILDING UNIT OF RIGHT-HANDED AND LEFT-HANDED HELICES IN PEPTIDES AND PROTEINS
Authors: PERCZEL A FARKAS O MARCOCCIA JF CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .14. AB-INITIO STUDY ON THE ROLE OF SIDE-CHAIN BACKBONE INTERACTION STABILIZING THE BUILDING UNIT OF RIGHT-HANDED AND LEFT-HANDED HELICES IN PEPTIDES AND PROTEINS, International journal of quantum chemistry, 61(5), 1997, pp. 797-814
PEPTIDE MODELS .20. AROMATIC SIDE-CHAIN - BACKBONE INTERACTION IN PHENYLALANINE-CONTAINING DIAMIDE MODEL SYSTEM - A SYSTEMATIC SEARCH FOR THE IDENTIFICATION OF ALL THE AB-INITIO CONFORMERS OF N-FORMYL-L-PHENYLALANINE-AMIDE
Authors: PERCZEL A FARKAS O CSASZAR AG CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .20. AROMATIC SIDE-CHAIN - BACKBONE INTERACTION IN PHENYLALANINE-CONTAINING DIAMIDE MODEL SYSTEM - A SYSTEMATIC SEARCH FOR THE IDENTIFICATION OF ALL THE AB-INITIO CONFORMERS OF N-FORMYL-L-PHENYLALANINE-AMIDE, Canadian journal of chemistry, 75(8), 1997, pp. 1120-1130
THE STRUCTURE AND FRAGMENTATION OF B-N (N-GREATER-THAN-OR-EQUAL-TO-3)IONS IN PEPTIDE SPECTRA
Authors: YALCIN T CSIZMADIA IG PETERSON MR HARRISON AG
Citation: T. Yalcin et al., THE STRUCTURE AND FRAGMENTATION OF B-N (N-GREATER-THAN-OR-EQUAL-TO-3)IONS IN PEPTIDE SPECTRA, Journal of the American Society for Mass Spectrometry, 7(3), 1996, pp. 233-242
PEPTIDE MODELS .16. THE IDENTIFICATION OF SELECTED HCO-L-SER-NH2 CONFORMERS VIA A SYSTEMATIC GRID SEARCH USING AB-INITIO POTENTIAL-ENERGY SURFACES
Authors: PERCZEL A FARKAS O CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .16. THE IDENTIFICATION OF SELECTED HCO-L-SER-NH2 CONFORMERS VIA A SYSTEMATIC GRID SEARCH USING AB-INITIO POTENTIAL-ENERGY SURFACES, Journal of computational chemistry, 17(7), 1996, pp. 821-834
PEPTIDE MODELS .19. SIDE-CHAIN CONFORMATIONAL ENERGY SURFACE E=F((CHI-1,CHI-2)) AND AMIDE-I VIBRATIONAL FREQUENCIES OF N-FORMYL-L-PHENYLALANINAMIDE (FOR-PHE-NH2) IN ITS GAMMA(L) OR GAMMA(INV) OR C-7(EQ) BACKBONE CONFORMATION
Authors: FARKAS O MCALLISTER MA MA JH PERCZEL A HOLLOSI M CSIZMADIA IG
Citation: O. Farkas et al., PEPTIDE MODELS .19. SIDE-CHAIN CONFORMATIONAL ENERGY SURFACE E=F((CHI-1,CHI-2)) AND AMIDE-I VIBRATIONAL FREQUENCIES OF N-FORMYL-L-PHENYLALANINAMIDE (FOR-PHE-NH2) IN ITS GAMMA(L) OR GAMMA(INV) OR C-7(EQ) BACKBONE CONFORMATION, Journal of molecular structure. Theochem, 369, 1996, pp. 105-114
CONFORMATIONS OF ETHYLBENZENE (CH3-CH2-PH) - AN AB-INITIO STUDY
Authors: FARKAS O SALPIETRO SJ CSASZAR P CSIZMADIA IG
Citation: O. Farkas et al., CONFORMATIONS OF ETHYLBENZENE (CH3-CH2-PH) - AN AB-INITIO STUDY, Journal of molecular structure. Theochem, 367, 1996, pp. 25-31
SUGGESTED BINDING MECHANISM OF THE HIV-GP120 TO ITS CD4 RECEPTOR
Authors: SZEKELY Z KONYA Z BECSKEI A GOLDRING WPD PERCZEL A PENKE B MOLNAR J MICHEJDA CF ASZALOS A CSIZMADIA IG
Citation: Z. Szekely et al., SUGGESTED BINDING MECHANISM OF THE HIV-GP120 TO ITS CD4 RECEPTOR, Journal of molecular structure. Theochem, 367, 1996, pp. 159-186
A THEORETICAL-STUDY ON THE CONFORMATIONS OF AZADIRACHTIN
Authors: BALDONI HA ENRIZ RD JAUREGUI EA CSIZMADIA IG
Citation: Ha. Baldoni et al., A THEORETICAL-STUDY ON THE CONFORMATIONS OF AZADIRACHTIN, Journal of molecular structure. Theochem, 363(2), 1996, pp. 167-178
AMINO-ACID CONFORMATIONAL-ANALYSES OF PROTEINS (ACAP PROGRAM)
Authors: HUDAKY P PERCZEL A CSIZMADIA IG
Citation: P. Hudaky et al., AMINO-ACID CONFORMATIONAL-ANALYSES OF PROTEINS (ACAP PROGRAM), Journal of molecular structure. Theochem, 362(3), 1996, pp. 263-273
AN AB-INITIO STUDY ON THE PROTONATION OF FORMALDOXIME IN ITS GROUND AND LOW-LYING VALENCE EXCITED-STATES - A MODEL STUDY FOR THE EARLY STEPS OF ACID-CATALYZED PHOTOCHEMICAL-REACTIONS
Authors: MARCOCCIA JF YATES K CSIZMADIA IG
Citation: Jf. Marcoccia et al., AN AB-INITIO STUDY ON THE PROTONATION OF FORMALDOXIME IN ITS GROUND AND LOW-LYING VALENCE EXCITED-STATES - A MODEL STUDY FOR THE EARLY STEPS OF ACID-CATALYZED PHOTOCHEMICAL-REACTIONS, Journal of molecular structure. Theochem, 360, 1996, pp. 1-39
RELATIVE STABILITY OF C-1(4) AND C-4(1) CHAIR FORMS OF BETA-D-GLUCOSE- A DENSITY-FUNCTIONAL STUDY
Authors: CSONKA GI ELIAS K CSIZMADIA IG
Citation: Gi. Csonka et al., RELATIVE STABILITY OF C-1(4) AND C-4(1) CHAIR FORMS OF BETA-D-GLUCOSE- A DENSITY-FUNCTIONAL STUDY, Chemical physics letters, 257(1-2), 1996, pp. 49-60
PEPTIDE MODELS .18. HYDROXYMETHYL SIDE-CHAIN INDUCED BACKBONE CONFORMATIONAL SHIFTS OF L-SERINE AMIDE - ALL AB-INITIO CONFORMERS OF FOR-L-SER-NH2
Authors: PERCZEL A FARKAS O CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .18. HYDROXYMETHYL SIDE-CHAIN INDUCED BACKBONE CONFORMATIONAL SHIFTS OF L-SERINE AMIDE - ALL AB-INITIO CONFORMERS OF FOR-L-SER-NH2, Journal of the American Chemical Society, 118(33), 1996, pp. 7809-7817
WHY ARE B-IONS STABLE SPECIES IN PEPTIDE SPECTRA
Authors: YALCIN T KHOUW C CSIZMADIA IG PETERSON MR HARRISON AG
Citation: T. Yalcin et al., WHY ARE B-IONS STABLE SPECIES IN PEPTIDE SPECTRA, Journal of the American Society for Mass Spectrometry, 6(12), 1995, pp. 1165-1174
THE EFFECT OF SUBSTITUENTS ON THE DEPROTONATION ENERGY OF SELECTED PRIMARY, SECONDARY AND TERTIARY ALCOHOLS
Authors: MESTRES J DURAN M BERTRAN J CSIZMADIA IG
Citation: J. Mestres et al., THE EFFECT OF SUBSTITUENTS ON THE DEPROTONATION ENERGY OF SELECTED PRIMARY, SECONDARY AND TERTIARY ALCOHOLS, Journal of molecular structure. Theochem, 358, 1995, pp. 229-249
PEPTIDE MODELS .7. THE ENDING OF THE RIGHT-HANDED HELICES IN OLIGOPEPTIDES [FOR-(ALA)(N)-NH2 FOR 2-LESS-THAN-OR-EQUAL-TO-N-LESS-THAN-OR-EQUAL-TO-4] AND IN PROTEINS
Authors: PERCZEL A ENDREDI G MCALLISTER MA FARKAS O CSASZAR P LADIK J CSIZMADIA IG
Citation: A. Perczel et al., PEPTIDE MODELS .7. THE ENDING OF THE RIGHT-HANDED HELICES IN OLIGOPEPTIDES [FOR-(ALA)(N)-NH2 FOR 2-LESS-THAN-OR-EQUAL-TO-N-LESS-THAN-OR-EQUAL-TO-4] AND IN PROTEINS, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 5-10
PEPTIDE MODELS .12. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 8D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-(L-ALA)(4)-NHME AND FOR-(L-ALA)(4)-NH2
Authors: ENDREDI G MCALLISTER MA FARKAS O PERCZEL A LADIK J CSIZMADIA IG
Citation: G. Endredi et al., PEPTIDE MODELS .12. TOPOLOGICAL FEATURES OF MOLECULAR MECHANICS AND AB-INITIO 8D-RAMACHANDRAN MAPS - CONFORMATIONAL DATA FOR AC-(L-ALA)(4)-NHME AND FOR-(L-ALA)(4)-NH2, Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 11-26
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