AAAAAA

   
Results: 1-12 |
Results: 12
Quantum mechanical/molecular mechanical methods and the study of kinetic isotope effects: modelling the covalent junction region and application to the enzyme xylose isomerase
Authors: Nicoll, RM Hindle, SA MacKenzie, G Hillier, IH Burton, NA
Citation: Rm. Nicoll et al., Quantum mechanical/molecular mechanical methods and the study of kinetic isotope effects: modelling the covalent junction region and application to the enzyme xylose isomerase, THEOR CH AC, 106(1-2), 2001, pp. 105-112
QM/MM studies show substantial tunneling for the hydrogen-transfer reaction in methylamine dehydrogenase
Authors: Faulder, PF Tresadern, G Chohan, KK Scrutton, NS Sutcliffe, MJ Hillier, IH Burton, NA
Citation: Pf. Faulder et al., QM/MM studies show substantial tunneling for the hydrogen-transfer reaction in methylamine dehydrogenase, J AM CHEM S, 123(35), 2001, pp. 8604-8605
Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interfaceregion and geometry optimization with an application to chorismate mutase
Authors: Hall, RJ Hindle, SA Burton, NA Hillier, IH
Citation: Rj. Hall et al., Aspects of hybrid QM/MM calculations: The treatment of the QM/MM interfaceregion and geometry optimization with an application to chorismate mutase, J COMPUT CH, 21(16), 2000, pp. 1433-1441
Ab initio hybrid quantum mechanical/molecular mechanical studies of the mechanisms of the enzymes protein kinase and thymidine phosphorylase
Authors: Sheppard, DW Burton, NA Hillier, IH
Citation: Dw. Sheppard et al., Ab initio hybrid quantum mechanical/molecular mechanical studies of the mechanisms of the enzymes protein kinase and thymidine phosphorylase, J MOL ST-TH, 506, 2000, pp. 35-44
Aspergillus and endobronchial abnormalities in lung transplant recipients
Authors: Nathan, SD Shorr, AF Schmidt, ME Burton, NA
Citation: Sd. Nathan et al., Aspergillus and endobronchial abnormalities in lung transplant recipients, CHEST, 118(2), 2000, pp. 403-407
Ab initio study of single and double point adsorption of carbon monoxide on clusters representing zeolites
Authors: Khodakov, A Bates, SP Dwyer, J Windsor, CM Burton, NA
Citation: A. Khodakov et al., Ab initio study of single and double point adsorption of carbon monoxide on clusters representing zeolites, PCCP PHYS C, 1(4), 1999, pp. 507-512
What is the mechanism of phosphoryl transfer in protein kinases? A hybrid quantum mechanical/molecular mechanical study
Authors: Hart, JC Sheppard, DW Hillier, IH Burton, NA
Citation: Jc. Hart et al., What is the mechanism of phosphoryl transfer in protein kinases? A hybrid quantum mechanical/molecular mechanical study, CHEM COMMUN, (1), 1999, pp. 79-80
Successful use of cyclosporine in a lung transplant recipient with tacrolimus-associated hemolytic uremic syndrome
Authors: Myers, JN Shabshab, SF Burton, NA Nathan, SD
Citation: Jn. Myers et al., Successful use of cyclosporine in a lung transplant recipient with tacrolimus-associated hemolytic uremic syndrome, J HEART LUN, 18(10), 1999, pp. 1024-1026
Monte Carlo simulations of water clusters on a parallel computer using an ab initio potential
Authors: Akhmatskaya, EV Cooper, MD Burton, NA Masters, AJ Hillier, IH
Citation: Ev. Akhmatskaya et al., Monte Carlo simulations of water clusters on a parallel computer using an ab initio potential, INT J QUANT, 74(6), 1999, pp. 709-719
Prediction of the mechanisms of enzyme-catalysed reactions using hybrid quantum mechanical molecular mechanical methods
Authors: Burton, NA Harrison, MJ Hart, JC Hillier, IH Sheppard, DW
Citation: Na. Burton et al., Prediction of the mechanisms of enzyme-catalysed reactions using hybrid quantum mechanical molecular mechanical methods, FARADAY DIS, (110), 1998, pp. 463-475
General discussion
Authors: Truhlar, DG Jorgensen, WL Nguyen, MT Anderson, JB Chandler, D Hammes-Schiffer, S Bolhuis, PG Hillier, IH Dellago, C Connor, JNL Basilevsky, MV Tully, JC Bowman, JM Goldfield, EM Katz, G Martinez, TJ Jakubetz, W Schranz, HW Schulten, KJ Sprik, M Schatz, GC Hynes, JT Williams, IH Taylor, PR Verma, CS Lagana, A Morokuma, K Trindle, C Schaefer, HF Burton, NA Blancafort, L
Citation: Dg. Truhlar et al., General discussion, FARADAY DIS, (110), 1998, pp. 477-520
An alternative role for the conserved Asp residue in phosphoryl transfer reactions
Authors: Hart, JC Hillier, IH Burton, NA Sheppard, DW
Citation: Jc. Hart et al., An alternative role for the conserved Asp residue in phosphoryl transfer reactions, J AM CHEM S, 120(51), 1998, pp. 13535-13536
Risultati: 1-12 |