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Results: 1-23 |
Results: 23
PROTONATION OF GLYCINE AND ALANINE - PROTON AFFINITIES, INTRINSIC BASICITIES AND PROTON-TRANSFER PATH
Authors: TOPOL IA BURT SK TOSCANO M RUSSO N
Citation: Ia. Topol et al., PROTONATION OF GLYCINE AND ALANINE - PROTON AFFINITIES, INTRINSIC BASICITIES AND PROTON-TRANSFER PATH, Journal of molecular structure. Theochem, 430, 1998, pp. 41-49
A QUANTUM-MECHANICAL STUDY OF METAL-BINDING SITES IN ZINC-FINGER STRUCTURES
Authors: TOPOL IA CASASFINET JR GUSSIO R BURT SK ERICKSON JW
Citation: Ia. Topol et al., A QUANTUM-MECHANICAL STUDY OF METAL-BINDING SITES IN ZINC-FINGER STRUCTURES, Journal of molecular structure. Theochem, 423(1-2), 1998, pp. 13-28
CYCLOPROPANE-DERIVED PEPTIDOMIMETICS - DESIGN, SYNTHESIS, EVALUATION,AND STRUCTURE OF NOVEL HIV-1 PROTEASE INHIBITORS
Authors: MARTIN SF DORSEY GO GANE T HILLIER MC KESSLER H BAUR M MATHA B ERICKSON JW BHAT TN MUNSHI S GULNIK SV TOPOL IA
Citation: Sf. Martin et al., CYCLOPROPANE-DERIVED PEPTIDOMIMETICS - DESIGN, SYNTHESIS, EVALUATION,AND STRUCTURE OF NOVEL HIV-1 PROTEASE INHIBITORS, Journal of medicinal chemistry, 41(10), 1998, pp. 1581-1597
CALCULATION OF THE AQUEOUS SOLVATION FREE-ENERGY OF THE PROTON
Authors: TAWA GJ TOPOL IA BURT SK CALDWELL RA RASHIN AA
Citation: Gj. Tawa et al., CALCULATION OF THE AQUEOUS SOLVATION FREE-ENERGY OF THE PROTON, The Journal of chemical physics, 109(12), 1998, pp. 4852-4863
CALCULATION OF RELATIVE BINDING FREE-ENERGIES OF PEPTIDIC INHIBITORS TO HIV-1 PROTEASE AND ITS I84V MUTANT
Authors: TAWA GJ TOPOL IA BURT SK ERICKSON JW
Citation: Gj. Tawa et al., CALCULATION OF RELATIVE BINDING FREE-ENERGIES OF PEPTIDIC INHIBITORS TO HIV-1 PROTEASE AND ITS I84V MUTANT, Journal of the American Chemical Society, 120(34), 1998, pp. 8856-8863
FREE-ENERGY OF AMIDE HYDROGEN-BOND FORMATION IN VACUUM, IN WATER, ANDIN LIQUID ALKANE SOLUTION
Authors: BENTAL N SITKOFF D TOPOL IA YANG AS BURT SK HONIG B
Citation: N. Bental et al., FREE-ENERGY OF AMIDE HYDROGEN-BOND FORMATION IN VACUUM, IN WATER, ANDIN LIQUID ALKANE SOLUTION, JOURNAL OF PHYSICAL CHEMISTRY B, 101(3), 1997, pp. 450-457
CALCULATION OF ABSOLUTE AND RELATIVE ACIDITIES OF SUBSTITUTED IMIDAZOLES IN AQUEOUS SOLVENT
Authors: TOPOL IA TAWA GJ BURT SK RASHIN AA
Citation: Ia. Topol et al., CALCULATION OF ABSOLUTE AND RELATIVE ACIDITIES OF SUBSTITUTED IMIDAZOLES IN AQUEOUS SOLVENT, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(51), 1997, pp. 10075-10081
IR MATRIX-ISOLATION AND AB-INITIO IDENTIFICATION OF PRODUCTS OF THE REACTIONS OF CH3CL AND CH3BR WITH MG
Authors: SOLOVEV VN SERGEEV GB NEMUKHIN AV BURT SK TOPOL IA
Citation: Vn. Solovev et al., IR MATRIX-ISOLATION AND AB-INITIO IDENTIFICATION OF PRODUCTS OF THE REACTIONS OF CH3CL AND CH3BR WITH MG, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(46), 1997, pp. 8625-8630
BUILDING MOLECULAR CHARGE-DISTRIBUTIONS FROM FRAGMENTS - APPLICATION TO HIV-1 PROTEASE INHIBITORS
Authors: YOUNG L TOPOL IA RASHIN AA BURT SK
Citation: L. Young et al., BUILDING MOLECULAR CHARGE-DISTRIBUTIONS FROM FRAGMENTS - APPLICATION TO HIV-1 PROTEASE INHIBITORS, Journal of computational chemistry, 18(4), 1997, pp. 522-532
IMPORTANCE OF EFFECTIVE CHARGES IN THE ANALYSIS OF ELECTRON-CONFORMATIONAL INTERACTIONS IN PEPTIDES
Authors: SHAITAN KV NEMUKHIN AV FIRSOV DA BOGDAN TV TOPOL IA
Citation: Kv. Shaitan et al., IMPORTANCE OF EFFECTIVE CHARGES IN THE ANALYSIS OF ELECTRON-CONFORMATIONAL INTERACTIONS IN PEPTIDES, Molecular biology, 31(1), 1997, pp. 90-97
STRUCTURE AND SPECTRA OF METHYLMAGNESIUM GRIGNARD COMPLEXES
Authors: NEMUKHIN AV SOLOVEV VN SERGEEV GB TOPOL IA
Citation: Av. Nemukhin et al., STRUCTURE AND SPECTRA OF METHYLMAGNESIUM GRIGNARD COMPLEXES, Mendeleev communications, (1), 1996, pp. 5-7
ALL-ATOM MODELS FOR THE NONNUCLEOSIDE BINDING-SITE OF HIV-1 REVERSE-TRANSCRIPTASE COMPLEXED WITH INHIBITORS - A 3D QSAR APPROACH
Authors: GUSSIO R PATTABIRAMAN N ZAHAREVITZ DW KELLOGG GE TOPOL IA RICE WG SCHAEFFER CA ERICKSON JW BURT SK
Citation: R. Gussio et al., ALL-ATOM MODELS FOR THE NONNUCLEOSIDE BINDING-SITE OF HIV-1 REVERSE-TRANSCRIPTASE COMPLEXED WITH INHIBITORS - A 3D QSAR APPROACH, Journal of medicinal chemistry, 39(8), 1996, pp. 1645-1650
STRUCTURE OF HIV-1 PROTEASE WITH KNI-272, A TIGHT-BINDING TRANSITION-STATE ANALOG CONTAINING ALLOPHENYLNORSTATINE
Authors: BALDWIN ET BHAT TN GULNIK S LIU BS TOPOL IA KISO Y MIMOTO T MITSUYA H ERICKSON JW
Citation: Et. Baldwin et al., STRUCTURE OF HIV-1 PROTEASE WITH KNI-272, A TIGHT-BINDING TRANSITION-STATE ANALOG CONTAINING ALLOPHENYLNORSTATINE, Structure, 3(6), 1995, pp. 581-590
PROTON AFFINITIES OF MOLECULES CONTAINING NITROGEN AND OXYGEN - COMPARING DENSITY-FUNCTIONAL RESULTS TO EXPERIMENT
Authors: SCHMIEDEKAMP AM TOPOL IA MICHEJDA CJ
Citation: Am. Schmiedekamp et al., PROTON AFFINITIES OF MOLECULES CONTAINING NITROGEN AND OXYGEN - COMPARING DENSITY-FUNCTIONAL RESULTS TO EXPERIMENT, Theoretica Chimica Acta, 92(2), 1995, pp. 83-96
AB-INITIO AND DENSITY-FUNCTIONAL STUDIES ON INTERNAL-ROTATION AND CORRESPONDING TRANSITION-STATES IN CONJUGATED MOLECULES
Authors: OIE T TOPOL IA BURT SK
Citation: T. Oie et al., AB-INITIO AND DENSITY-FUNCTIONAL STUDIES ON INTERNAL-ROTATION AND CORRESPONDING TRANSITION-STATES IN CONJUGATED MOLECULES, Journal of physical chemistry, 99(3), 1995, pp. 905-915
STRUCTURE OF MAGNESIUM CLUSTER GRIGNARD-REAGENTS
Authors: NEMUKHIN AV TOPOL IA WEINHOLD F
Citation: Av. Nemukhin et al., STRUCTURE OF MAGNESIUM CLUSTER GRIGNARD-REAGENTS, Inorganic chemistry, 34(11), 1995, pp. 2980-2983
CAN CONTEMPORARY DENSITY-FUNCTIONAL THEORY YIELD ACCURATE THERMODYNAMICS FOR HYDROGEN-BONDING
Authors: TOPOL IA BURT SK RASHIN AA
Citation: Ia. Topol et al., CAN CONTEMPORARY DENSITY-FUNCTIONAL THEORY YIELD ACCURATE THERMODYNAMICS FOR HYDROGEN-BONDING, Chemical physics letters, 247(1-2), 1995, pp. 112-119
HIV PROTEASE INHIBITORS POSSESSING A NOVEL, HIGH-AFFINITY, AND ACHIRAL P-1' P-2' LIGAND WITH A UNIQUE PATTERN OF IN-VITRO RESISTANCE - IMPORTANCE OF A CONFORMATIONALLY-RESTRICTED TEMPLATE IN THE DESIGN OF ENZYME-INHIBITORS/
Authors: PRASAD JVNV LUNNEY EA FERGUSON D TUMMINO PJ RUBIN JR REYNER EL STEWART BH GUTTENDORF RJ DOMAGALA JM SUVOROV LI GULNIK SV TOPOL IA BHAT TN ERICKSON JW
Citation: Jvnv. Prasad et al., HIV PROTEASE INHIBITORS POSSESSING A NOVEL, HIGH-AFFINITY, AND ACHIRAL P-1' P-2' LIGAND WITH A UNIQUE PATTERN OF IN-VITRO RESISTANCE - IMPORTANCE OF A CONFORMATIONALLY-RESTRICTED TEMPLATE IN THE DESIGN OF ENZYME-INHIBITORS/, Journal of the American Chemical Society, 117(45), 1995, pp. 11070-11074
QUANTITATIVE-EVALUATION OF HYDRATION THERMODYNAMICS WITH A CONTINUUM MODEL
Authors: RASHIN AA YOUNG L TOPOL IA
Citation: Aa. Rashin et al., QUANTITATIVE-EVALUATION OF HYDRATION THERMODYNAMICS WITH A CONTINUUM MODEL, Biophysical chemistry, 51(2-3), 1994, pp. 359-374
TRIAZENE PROTON AFFINITIES - A COMPARISON BETWEEN DENSITY-FUNCTIONAL,HARTREE-FOCK, AND POST-HARTREE-FOCK METHODS
Authors: SCHMIEDEKAMP AM TOPOL IA BURT SK RAZAFINJANAHARY H CHERMETTE H PFALTZGRAFF T MICHEJDA CJ
Citation: Am. Schmiedekamp et al., TRIAZENE PROTON AFFINITIES - A COMPARISON BETWEEN DENSITY-FUNCTIONAL,HARTREE-FOCK, AND POST-HARTREE-FOCK METHODS, Journal of computational chemistry, 15(8), 1994, pp. 875-892
AB-INITIO AND DENSITY-FUNCTIONAL CALCULATIONS ON ETHYLENE-GLYCOL
Authors: OIE T TOPOL IA BURT SK
Citation: T. Oie et al., AB-INITIO AND DENSITY-FUNCTIONAL CALCULATIONS ON ETHYLENE-GLYCOL, Journal of physical chemistry, 98(4), 1994, pp. 1121-1128
MOLECULAR DIPOLE-MOMENTS CALCULATED WITH DENSITY-FUNCTIONAL THEORY
Authors: RASHIN AA YOUNG L TOPOL IA BURT SK
Citation: Aa. Rashin et al., MOLECULAR DIPOLE-MOMENTS CALCULATED WITH DENSITY-FUNCTIONAL THEORY, Chemical physics letters, 230(1-2), 1994, pp. 182-188
CHARACTERIZATION OF GEOMETRICAL AND ELECTRONIC-STRUCTURE PARAMETERS FOR METAL-BINDING SITES IN ZINC-FINGER FAMILIES
Authors: TOPOL IA CASASFINET JR GUISSIO RP SOWDER RC HENDERSON LE BURT SK ERICKSON JW
Citation: Ia. Topol et al., CHARACTERIZATION OF GEOMETRICAL AND ELECTRONIC-STRUCTURE PARAMETERS FOR METAL-BINDING SITES IN ZINC-FINGER FAMILIES, Biophysical journal, 66(2), 1994, pp. 10000187-10000187
Risultati: 1-23 |