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Results: 1-13 |
Results: 13
Interactions of azodicarbonamide (ADA) species with the model zinc finger site: Theoretical support of the zinc finger domain destruction in the HIV-1 nucleocapsid protein (NCp7) by ADA
Authors: Topol, IA Nemukhin, AV Dobrogorskaya, YI Burt, SK
Citation: Ia. Topol et al., Interactions of azodicarbonamide (ADA) species with the model zinc finger site: Theoretical support of the zinc finger domain destruction in the HIV-1 nucleocapsid protein (NCp7) by ADA, J PHYS CH B, 105(45), 2001, pp. 11341-11350
Experimental determination and calculations of redox potential descriptorsof compounds directed against retroviral zinc fingers: Implications for rational drug design
Authors: Topol, IA McGrath, C Chertova, E Dasenbrock, C Lacourse, WR Eissenstat, MA Burt, SK Henderson, LE Casas-Finet, JR
Citation: Ia. Topol et al., Experimental determination and calculations of redox potential descriptorsof compounds directed against retroviral zinc fingers: Implications for rational drug design, PROTEIN SCI, 10(7), 2001, pp. 1434-1445
Charge distributions in water and ion-water clusters
Authors: Rashin, AA Topol, IA Tawa, GJ Burt, SK
Citation: Aa. Rashin et al., Charge distributions in water and ion-water clusters, CHEM P LETT, 335(3-4), 2001, pp. 327-333
alpha- and 3(10)-helix interconversion: A quantum-chemical study on polyalanine systems in the gas phase and in aqueous solvent
Authors: Topol, IA Burt, SK Deretey, E Tang, TH Perczel, A Rashin, A Csizmadia, IG
Citation: Ia. Topol et al., alpha- and 3(10)-helix interconversion: A quantum-chemical study on polyalanine systems in the gas phase and in aqueous solvent, J AM CHEM S, 123(25), 2001, pp. 6054-6060
Acidity of organic molecules in the gas phase and in aqueous solvent
Authors: Topol, IA Tawa, GJ Caldwell, RA Eissenstat, MA Burt, SK
Citation: Ia. Topol et al., Acidity of organic molecules in the gas phase and in aqueous solvent, J PHYS CH A, 104(42), 2000, pp. 9619-9624
Calculation of substituent effects on pK(a) values for pyrone and dihydropyrone inhibitors of HIV-1 protease
Authors: Topol, IA Burt, SK Rashin, AA Erickson, JW
Citation: Ia. Topol et al., Calculation of substituent effects on pK(a) values for pyrone and dihydropyrone inhibitors of HIV-1 protease, J PHYS CH A, 104(4), 2000, pp. 866-872
Hydrogen bonding at the diatomics-in-molecules level: Water clusters
Authors: Grigorenko, BL Nemukhin, AV Topol, IA Burt, SK
Citation: Bl. Grigorenko et al., Hydrogen bonding at the diatomics-in-molecules level: Water clusters, J CHEM PHYS, 113(7), 2000, pp. 2638-2647
A new hybrid approach for modeling reactions in molecular clusters: Application for the hydrogen bonded systems
Authors: Nemukhin, AV Grigorenko, BL Skasyrskaya, EY Topol, IA Burt, SK
Citation: Av. Nemukhin et al., A new hybrid approach for modeling reactions in molecular clusters: Application for the hydrogen bonded systems, J CHEM PHYS, 112(2), 2000, pp. 513-521
Quantum chemical studies of reactions of the cyclic disulfides with the zinc finger domains in the HIV-1 nucleocapsid protein (NCp7)
Authors: Topol, IA Nemukhin, AV Chao, M Iyer, LK Tawa, GJ Burt, SK
Citation: Ia. Topol et al., Quantum chemical studies of reactions of the cyclic disulfides with the zinc finger domains in the HIV-1 nucleocapsid protein (NCp7), J AM CHEM S, 122(29), 2000, pp. 7087-7094
Theoretical calculations of glycine and alanine gas-phase acidities
Authors: Topol, IA Burt, SK Russo, N Toscano, M
Citation: Ia. Topol et al., Theoretical calculations of glycine and alanine gas-phase acidities, J AM SOC M, 10(4), 1999, pp. 318-322
The formation of the sulfur halides SX4 from SX2 and X-2: Reaction enthalpies, transition states, and activation energies for X = F and Cl
Authors: Drozdova, Y Steudel, R Koch, W Miaskiewicz, K Topol, IA
Citation: Y. Drozdova et al., The formation of the sulfur halides SX4 from SX2 and X-2: Reaction enthalpies, transition states, and activation energies for X = F and Cl, CHEM-EUR J, 5(6), 1999, pp. 1936-1943
On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model
Authors: Topol, IA Tawa, GJ Burt, SK Rashin, AA
Citation: Ia. Topol et al., On the structure and thermodynamics of solvated monoatomic ions using a hybrid solvation model, J CHEM PHYS, 111(24), 1999, pp. 10998-11014
Molecular mechanisms of resistance: Free energy calculations of mutation effects on inhibitor binding to HIV-1 protease
Authors: Rick, SW Topol, IA Erickson, JW Burt, SK
Citation: Sw. Rick et al., Molecular mechanisms of resistance: Free energy calculations of mutation effects on inhibitor binding to HIV-1 protease, PROTEIN SCI, 7(8), 1998, pp. 1750-1756
Risultati: 1-13 |