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Results: 1-25 | 26-40
Results: 1-25/40
SCALED QUANTUM-MECHANICAL FORCE-FIELDS AND VIBRATIONAL-SPECTRA OF NUCLEIC-ACID CONSTITUENTS - 9 - TETRAHYDROFURAN
Authors: STRAJBL M BAUMRUK V FLORIAN J
Citation: M. Strajbl et al., SCALED QUANTUM-MECHANICAL FORCE-FIELDS AND VIBRATIONAL-SPECTRA OF NUCLEIC-ACID CONSTITUENTS - 9 - TETRAHYDROFURAN, JOURNAL OF PHYSICAL CHEMISTRY B, 102(7), 1998, pp. 1314-1319
PHOSPHATE ESTER HYDROLYSIS IN AQUEOUS-SOLUTION - ASSOCIATIVE VERSUS DISSOCIATIVE MECHANISMS
Authors: FLORIAN J WARSHEL A
Citation: J. Florian et A. Warshel, PHOSPHATE ESTER HYDROLYSIS IN AQUEOUS-SOLUTION - ASSOCIATIVE VERSUS DISSOCIATIVE MECHANISMS, JOURNAL OF PHYSICAL CHEMISTRY B, 102(4), 1998, pp. 719-734
HYBRID AB-INITIO QUANTUM-MECHANICS MOLECULAR MECHANICS CALCULATIONS OF FREE-ENERGY SURFACES FOR ENZYMATIC-REACTIONS - THE NUCLEOPHILIC-ATTACK IN SUBTILISIN
Authors: BENTZIEN J MULLER RP FLORIAN J WARSHEL A
Citation: J. Bentzien et al., HYBRID AB-INITIO QUANTUM-MECHANICS MOLECULAR MECHANICS CALCULATIONS OF FREE-ENERGY SURFACES FOR ENZYMATIC-REACTIONS - THE NUCLEOPHILIC-ATTACK IN SUBTILISIN, JOURNAL OF PHYSICAL CHEMISTRY B, 102(12), 1998, pp. 2293-2301
DENSITY-FUNCTIONAL CALCULATIONS OF THE PSEUDOROTATIONAL FLEXIBILITY OF TETRAHYDROFURAN
Authors: STRAJBL M FLORIAN J
Citation: M. Strajbl et J. Florian, DENSITY-FUNCTIONAL CALCULATIONS OF THE PSEUDOROTATIONAL FLEXIBILITY OF TETRAHYDROFURAN, Theoretical chemistry accounts, 99(3), 1998, pp. 166-170
COMPUTER-SIMULATIONS OF ENZYME CATALYSIS - FINDING OUT WHAT HAS BEEN OPTIMIZED BY EVOLUTION
Authors: WARSHEL A FLORIAN J
Citation: A. Warshel et J. Florian, COMPUTER-SIMULATIONS OF ENZYME CATALYSIS - FINDING OUT WHAT HAS BEEN OPTIMIZED BY EVOLUTION, Proceedings of the National Academy of Sciences of the United Statesof America, 95(11), 1998, pp. 5950-5955
ON THE REACTIVITY OF PHOSPHATE MONOESTER DIANIONS IN AQUEOUS-SOLUTION- BRONSTED LINEAR FREE-ENERGY RELATIONSHIPS DO NOT HAVE AN UNIQUE MECHANISTIC INTERPRETATION
Authors: FLORIAN J AQVIST J WARSHEL A
Citation: J. Florian et al., ON THE REACTIVITY OF PHOSPHATE MONOESTER DIANIONS IN AQUEOUS-SOLUTION- BRONSTED LINEAR FREE-ENERGY RELATIONSHIPS DO NOT HAVE AN UNIQUE MECHANISTIC INTERPRETATION, Journal of the American Chemical Society, 120(44), 1998, pp. 11524-11525
CONFORMATIONAL FLEXIBILITY OF PHOSPHATE, PHOSPHONATE, AND PHOSPHOROTHIOATE METHYL-ESTERS IN AQUEOUS-SOLUTION
Authors: FLORIAN J STRAJBL M WARSHEL A
Citation: J. Florian et al., CONFORMATIONAL FLEXIBILITY OF PHOSPHATE, PHOSPHONATE, AND PHOSPHOROTHIOATE METHYL-ESTERS IN AQUEOUS-SOLUTION, Journal of the American Chemical Society, 120(31), 1998, pp. 7959-7966
LANGEVIN DIPOLES MODEL FOR AB-INITIO CALCULATIONS OF CHEMICAL PROCESSES IN SOLUTION - PARAMETRIZATION AND APPLICATION TO HYDRATION FREE-ENERGIES OF NEUTRAL AND IONIC SOLUTES AND CONFORMATIONAL-ANALYSIS IN AQUEOUS-SOLUTION
Authors: FLORIAN J WARSHEL A
Citation: J. Florian et A. Warshel, LANGEVIN DIPOLES MODEL FOR AB-INITIO CALCULATIONS OF CHEMICAL PROCESSES IN SOLUTION - PARAMETRIZATION AND APPLICATION TO HYDRATION FREE-ENERGIES OF NEUTRAL AND IONIC SOLUTES AND CONFORMATIONAL-ANALYSIS IN AQUEOUS-SOLUTION, JOURNAL OF PHYSICAL CHEMISTRY B, 101(28), 1997, pp. 5583-5595
EUROPEAN OBSERVATION NETWORK - GROUND-BASED SUPPORT FOR GAMMA-RAY SATELLITES
Authors: HUDEC R SPURNY P FLORIAN J BOCEK J TICHY M TICHA J VYSKOCIL L WENZEL W BARTHELMY S CLINE T GEHRELS N FISHMAN G KOUVELIOTOU C MEEGAN C MUTAFOV A
Citation: R. Hudec et al., EUROPEAN OBSERVATION NETWORK - GROUND-BASED SUPPORT FOR GAMMA-RAY SATELLITES, Experimental astronomy, 7(4), 1997, pp. 319-323
COUPLED-CLUSTER AND DENSITY-FUNCTIONAL CALCULATIONS OF THE MOLECULAR-STRUCTURE, INFRARED-SPECTRA, RAMAN-SPECTRA, AND HARMONIC FORCE-CONSTANTS FOR METHANOL
Authors: FLORIAN J LESZCZYNSKI J JOHNSON BG GOODMAN L
Citation: J. Florian et al., COUPLED-CLUSTER AND DENSITY-FUNCTIONAL CALCULATIONS OF THE MOLECULAR-STRUCTURE, INFRARED-SPECTRA, RAMAN-SPECTRA, AND HARMONIC FORCE-CONSTANTS FOR METHANOL, Molecular physics, 91(3), 1997, pp. 439-447
MOLECULAR-STRUCTURE, VIBRATIONAL-SPECTRA AND QUANTUM-MECHANICAL FORCE-FIELDS OF MODIFIED OLIGONUCLEOTIDE LINKAGES .1. METHYL METHOXYMETHANPHOSPHONATE
Authors: STRAJBL M BAUMRUK V FLORIAN J BEDNAROVA L ROSENBERG I STEPANEK J
Citation: M. Strajbl et al., MOLECULAR-STRUCTURE, VIBRATIONAL-SPECTRA AND QUANTUM-MECHANICAL FORCE-FIELDS OF MODIFIED OLIGONUCLEOTIDE LINKAGES .1. METHYL METHOXYMETHANPHOSPHONATE, Journal of molecular structure, 415(1-2), 1997, pp. 161-177
A FUNDAMENTAL ASSUMPTION ABOUT OH- ATTACK IN PHOSPHATE ESTER HYDROLYSIS IS NOT FULLY JUSTIFIED
Authors: FLORIAN J WARSHEL A
Citation: J. Florian et A. Warshel, A FUNDAMENTAL ASSUMPTION ABOUT OH- ATTACK IN PHOSPHATE ESTER HYDROLYSIS IS NOT FULLY JUSTIFIED, Journal of the American Chemical Society, 119(23), 1997, pp. 5473-5474
NONPLANAR DNA-BASE PAIRS
Authors: SPONER J FLORIAN J HOBZA P LESZCZYNSKI J
Citation: J. Sponer et al., NONPLANAR DNA-BASE PAIRS, Journal of biomolecular structure & dynamics, 13(5), 1996, pp. 827-833
AB-INITIO INVESTIGATION OF THE MOLECULAR-STRUCTURE OF METHYL METHOXYMETHYL PHOSPHONATE, A PROMISING NUCLEASE-RESISTANT ALTERNATIVE OF THE PHOSPHODIESTER LINKAGE
Authors: STRAJBL M FLORIAN J
Citation: M. Strajbl et J. Florian, AB-INITIO INVESTIGATION OF THE MOLECULAR-STRUCTURE OF METHYL METHOXYMETHYL PHOSPHONATE, A PROMISING NUCLEASE-RESISTANT ALTERNATIVE OF THE PHOSPHODIESTER LINKAGE, Journal of biomolecular structure & dynamics, 13(4), 1996, pp. 687-694
PHASE-II TRIAL OF ORAL TEGAFUR AND FOLINIC ACID WITH MITOXANTRONE AS FIRST-LINE REGIMEN IN PATIENTS WITH METASTATIC BREAST-CANCER
Authors: ALONSO V SANTANDER C FLORIAN J ALONSO M ISLA MD ESCUDERO P SAENZ A TRES A
Citation: V. Alonso et al., PHASE-II TRIAL OF ORAL TEGAFUR AND FOLINIC ACID WITH MITOXANTRONE AS FIRST-LINE REGIMEN IN PATIENTS WITH METASTATIC BREAST-CANCER, Tumori, 82(1), 1996, pp. 61-64
IR AND RAMAN-SPECTRA, CONFORMATIONAL FLEXIBILITY, AND SCALED QUANTUM-MECHANICAL FORCE-FIELDS OF SODIUM DIMETHYL-PHOSPHATE AND DIMETHYL-PHOSPHATE ANION
Authors: FLORIAN J BAUMRUK V STRAJBL M BEDNAROVA L STEPANEK J
Citation: J. Florian et al., IR AND RAMAN-SPECTRA, CONFORMATIONAL FLEXIBILITY, AND SCALED QUANTUM-MECHANICAL FORCE-FIELDS OF SODIUM DIMETHYL-PHOSPHATE AND DIMETHYL-PHOSPHATE ANION, Journal of physical chemistry, 100(5), 1996, pp. 1559-1568
IR AND RAMAN-SPECTRA, TAUTOMERIC STABILITIES, AND SCALED QUANTUM-MECHANICAL FORCE-FIELDS OF PROTONATED CYTOSINE
Authors: FLORIAN J BAUMRUK V LESZCZYNSKI J
Citation: J. Florian et al., IR AND RAMAN-SPECTRA, TAUTOMERIC STABILITIES, AND SCALED QUANTUM-MECHANICAL FORCE-FIELDS OF PROTONATED CYTOSINE, Journal of physical chemistry, 100(13), 1996, pp. 5578-5589
SPONTANEOUS DNA MUTATIONS INDUCED BY PROTON-TRANSFER IN THE GUANINE CYTOSINE BASE-PAIRS - AN ENERGETIC PERSPECTIVE
Authors: FLORIAN J LESZCZYNSKI J
Citation: J. Florian et J. Leszczynski, SPONTANEOUS DNA MUTATIONS INDUCED BY PROTON-TRANSFER IN THE GUANINE CYTOSINE BASE-PAIRS - AN ENERGETIC PERSPECTIVE, Journal of the American Chemical Society, 118(12), 1996, pp. 3010-3017
A PILOT-STUDY OF ADJUVANT POSTOPERATIVE CHEMOHORMONAL THERAPY WITH 5-FLUOROURACIL, DOXORUBICIN, CYCLOPHOSPHAMIDE, VINDESINE AND TAMOXIFEN FOR RESECTABLE BREAST-CANCER
Authors: ALONSO V FLORIAN J ALONSO M CAJAL R YUBERO A ISLA MD ESCUDERO P SAENZ A MAYORDOMO JI TRES A
Citation: V. Alonso et al., A PILOT-STUDY OF ADJUVANT POSTOPERATIVE CHEMOHORMONAL THERAPY WITH 5-FLUOROURACIL, DOXORUBICIN, CYCLOPHOSPHAMIDE, VINDESINE AND TAMOXIFEN FOR RESECTABLE BREAST-CANCER, European journal of cancer, 31A, 1995, pp. 75-75
THEORETICAL INVESTIGATION OF THE MOLECULAR-STRUCTURE OF THE PI-KAPPA DNA-BASE PAIR
Authors: FLORIAN J LESZCZYNSKI J
Citation: J. Florian et J. Leszczynski, THEORETICAL INVESTIGATION OF THE MOLECULAR-STRUCTURE OF THE PI-KAPPA DNA-BASE PAIR, Journal of biomolecular structure & dynamics, 12(5), 1995, pp. 1055-1062
AB-INITIO STUDY OF THE STRUCTURE OF GUANINE-CYTOSINE BASE-PAIR CONFORMERS IN GAS-PHASE AND POLAR-SOLVENTS
Authors: FLORIAN J LESZCZYNSKI J SCHEINER S
Citation: J. Florian et al., AB-INITIO STUDY OF THE STRUCTURE OF GUANINE-CYTOSINE BASE-PAIR CONFORMERS IN GAS-PHASE AND POLAR-SOLVENTS, Molecular physics, 84(3), 1995, pp. 469-480
H-BONDING AND INTERACTION ENERGY OF ACETONITRILE NEUTRAL AND PYRIDINEION-PAIR SURFACE COMPLEXES IN ZEOLITES OF VARIOUS ACIDITY - FTIR AND AB-INITIO STUDY
Authors: KUBELKOVA L KOTRLA J FLORIAN J
Citation: L. Kubelkova et al., H-BONDING AND INTERACTION ENERGY OF ACETONITRILE NEUTRAL AND PYRIDINEION-PAIR SURFACE COMPLEXES IN ZEOLITES OF VARIOUS ACIDITY - FTIR AND AB-INITIO STUDY, Journal of physical chemistry, 99(25), 1995, pp. 10285-10293
STRUCTURE, ENERGETICS, AND FORCE-FIELDS OF THE CYCLIC FORMAMIDE DIMER- MP2, HARTREE-FOCK, AND DENSITY-FUNCTIONAL STUDY
Authors: FLORIAN J JOHNSON BG
Citation: J. Florian et Bg. Johnson, STRUCTURE, ENERGETICS, AND FORCE-FIELDS OF THE CYCLIC FORMAMIDE DIMER- MP2, HARTREE-FOCK, AND DENSITY-FUNCTIONAL STUDY, Journal of physical chemistry, 99(16), 1995, pp. 5899-5908
ON THE INTERMOLECULAR VIBRATIONAL-MODES OF THE GUANINE ... CYTOSINE, ADENINE ... THYMINE AND FORMAMIDE ... FORMAMIDE H-BONDED DIMERS
Authors: FLORIAN J LESZCZYNSKI J JOHNSON BG
Citation: J. Florian et al., ON THE INTERMOLECULAR VIBRATIONAL-MODES OF THE GUANINE ... CYTOSINE, ADENINE ... THYMINE AND FORMAMIDE ... FORMAMIDE H-BONDED DIMERS, Journal of molecular structure, 349, 1995, pp. 421-426
VIBRATIONAL-SPECTRA OF HYDROGEN-BONDED COMPLEXES ON ZEOLITE SURFACES AS A BENCHMARK FOR EVALUATING PERFORMANCE OF AB-INITIO METHODS - COMPLEX WITH THE PYRIDINIUM ION
Authors: FLORIAN J KUBELKOVA L KOTRLA J
Citation: J. Florian et al., VIBRATIONAL-SPECTRA OF HYDROGEN-BONDED COMPLEXES ON ZEOLITE SURFACES AS A BENCHMARK FOR EVALUATING PERFORMANCE OF AB-INITIO METHODS - COMPLEX WITH THE PYRIDINIUM ION, Journal of molecular structure, 349, 1995, pp. 435-438
Risultati: 1-25 | 26-40