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Results: 1-15 |
Results: 15
Ab initio evaluation of the free energy surfaces for the general base/acidcatalyzed thiolysis of formamide and the hydrolysis of methyl thiolformate: A reference solution reaction for studies of cysteine proteases
Authors: Strajbl, M Florian, J Warshel, A
Citation: M. Strajbl et al., Ab initio evaluation of the free energy surfaces for the general base/acidcatalyzed thiolysis of formamide and the hydrolysis of methyl thiolformate: A reference solution reaction for studies of cysteine proteases, J PHYS CH B, 105(19), 2001, pp. 4471-4484
Circe effect versus enzyme preorganization: What can be learned from the structure of the most proficient enzyme?
Authors: Warshel, A Florian, J Strajbl, M Villa, J
Citation: A. Warshel et al., Circe effect versus enzyme preorganization: What can be learned from the structure of the most proficient enzyme?, CHEMBIOCHEM, 2(2), 2001, pp. 109-111
Free-energy perturbation calculations of DNA destabilization by base substitutions: The effect of neutral guanine thymine, adenine cytosine and adenine difluorotoluene mismatches
Authors: Florian, J Goodman, MF Warshel, A
Citation: J. Florian et al., Free-energy perturbation calculations of DNA destabilization by base substitutions: The effect of neutral guanine thymine, adenine cytosine and adenine difluorotoluene mismatches, J PHYS CH B, 104(43), 2000, pp. 10092-10099
Insulin-like growth factor inhibits vascular contraction to 5-hydroxytryptamine: Involvement of tyrosine phosphatase
Authors: Melis, A Watts, SW Florian, J Klarr, S Webb, RC
Citation: A. Melis et al., Insulin-like growth factor inhibits vascular contraction to 5-hydroxytryptamine: Involvement of tyrosine phosphatase, GEN PH-VASC, 34(2), 2000, pp. 137-145
Local conformational variations observed in B-DNA crystals do not improve base stacking: computational analysis of base stacking in a d(CATGGGCCCATG)(2) B <-> A intermediate crystal structure
Authors: Sponer, J Florian, J Ng, HL Sponer, JE Spackova, N
Citation: J. Sponer et al., Local conformational variations observed in B-DNA crystals do not improve base stacking: computational analysis of base stacking in a d(CATGGGCCCATG)(2) B <-> A intermediate crystal structure, NUCL ACID R, 28(24), 2000, pp. 4893-4902
Q-chem 2.0: A high-performance ab initio electronic structure program package
Authors: Kong, J White, CA Krylov, AI Sherrill, D Adamson, RD Furlani, TR Lee, MS Lee, AM Gwaltney, SR Adams, TR Ochsenfeld, C Gilbert, ATB Kedziora, GS Rassolov, VA Maurice, DR Nair, N Shao, YH Besley, NA Maslen, PE Dombroski, JP Daschel, H Zhang, WM Korambath, PP Baker, J Byrd, EFC Van Voorhis, T Oumi, M Hirata, S Hsu, CP Ishikawa, N Florian, J Warshel, A Johnson, BG Gill, PMW Head-Gordon, M Pople, JA
Citation: J. Kong et al., Q-chem 2.0: A high-performance ab initio electronic structure program package, J COMPUT CH, 21(16), 2000, pp. 1532-1548
Ab initio/LD studies of chemical reactions in solution: Reference free-energy surfaces for acylation reactions occurring in serine and cysteine proteases
Authors: Strajbl, M Florian, J Warshel, A
Citation: M. Strajbl et al., Ab initio/LD studies of chemical reactions in solution: Reference free-energy surfaces for acylation reactions occurring in serine and cysteine proteases, INT J QUANT, 77(1), 2000, pp. 44-53
Remarkable rate enhancement of orotidine 5 '-monophosphate decarboxylase is due to transition-state stabilization rather than to ground-state destabilization
Authors: Warshel, A Strajbl, M Villa, J Florian, J
Citation: A. Warshel et al., Remarkable rate enhancement of orotidine 5 '-monophosphate decarboxylase is due to transition-state stabilization rather than to ground-state destabilization, BIOCHEM, 39(48), 2000, pp. 14728-14738
Ab initio evaluation of the potential surface for general base-catalyzed methanolysis of formamide: A reference solution reaction for studies of serine proteases
Authors: Strajbl, M Florian, J Warshel, A
Citation: M. Strajbl et al., Ab initio evaluation of the potential surface for general base-catalyzed methanolysis of formamide: A reference solution reaction for studies of serine proteases, J AM CHEM S, 122(22), 2000, pp. 5354-5366
Thermodynamic parameters for stacking and hydrogen bonding of nucleic acidbases in aqueous solution: Ab initio/Langevin dipoles study
Authors: Florian, J Sponer, J Warshel, A
Citation: J. Florian et al., Thermodynamic parameters for stacking and hydrogen bonding of nucleic acidbases in aqueous solution: Ab initio/Langevin dipoles study, J PHYS CH B, 103(5), 1999, pp. 884-892
Calculations of hydration entropies of hydrophobic, polar, and ionic solutes in the framework of the Langevin dipoles solvation model
Authors: Florian, J Warshel, A
Citation: J. Florian et A. Warshel, Calculations of hydration entropies of hydrophobic, polar, and ionic solutes in the framework of the Langevin dipoles solvation model, J PHYS CH B, 103(46), 1999, pp. 10282-10288
Mechanistic alternatives phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data?
Authors: Aqvist, J Kolmodin, K Florian, J Warshel, A
Citation: J. Aqvist et al., Mechanistic alternatives phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data?, CHEM BIOL, 6(3), 1999, pp. R71-R80
Quantum-chemical insights into mechanisms of the nonenzymatic hydrolysis of phosphate monoesters
Authors: Florian, J Warshel, A
Citation: J. Florian et A. Warshel, Quantum-chemical insights into mechanisms of the nonenzymatic hydrolysis of phosphate monoesters, PHOSPHOR SU, 146, 1999, pp. 525-528
Real-time and pre-burst optical data for GRBs
Authors: Hudec, R Ceplecha, Z Spurny, P Florian, J Kolar, A Bocek, J Borovicka, J Kroll, P
Citation: R. Hudec et al., Real-time and pre-burst optical data for GRBs, ASTR AST SS, 138(3), 1999, pp. 591-592
Catalytic hydrolysis of adenosine 2 ',3 '-cyclic monophosphate by Cu-II terpyridine
Authors: Jenkins, LA Bashkin, JK Pennock, JD Florian, J Warshel, A
Citation: La. Jenkins et al., Catalytic hydrolysis of adenosine 2 ',3 '-cyclic monophosphate by Cu-II terpyridine, INORG CHEM, 38(13), 1999, pp. 3215-3222
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