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Results:
1-8
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Results: 8
Authors:
Gadre, SR
Babu, K
Rendell, AP
Citation: Sr. Gadre et al., Electrostatics for exploring hydration patterns of molecules. 3. Uracil, J PHYS CH A, 104(39), 2000, pp. 8976-8982
Authors:
Greatbanks, SP
Gready, JE
Limaye, AC
Rendell, AP
Citation: Sp. Greatbanks et al., Comparison of enzyme polarization of ligands and charge-transfer effects for dihydrofolate reductase using point-charge embedded ab initio quantum mechanical and linear-scaling semiempirical quantum mechanical methods, J COMPUT CH, 21(9), 2000, pp. 788-811
Authors:
Nobes, RH
Rendell, AP
Nieplocha, J
Citation: Rh. Nobes et al., Computational chemistry on Fujitsu vector-parallel processors: Hardware and programming environment, PARALLEL C, 26(7-8), 2000, pp. 869-886
Authors:
Rendell, AP
Bliznyuk, A
Huber, T
Nobes, RH
Akhmatskaya, EV
Fruchtl, HA
Kung, PWC
Milman, V
Lung, H
Citation: Ap. Rendell et al., Computational chemistry on Fujitsu vector-parallel processors: Developmentand performance of applications software, PARALLEL C, 26(7-8), 2000, pp. 887-911
Authors:
Allen, TW
Bliznyuk, A
Rendell, AP
Kuyucak, S
Chung, SH
Citation: Tw. Allen et al., The potassium channel: Structure, selectivity and diffusion, J CHEM PHYS, 112(18), 2000, pp. 8191-8204
Authors:
Titmuss, SJ
Cummins, PL
Bliznyuk, AA
Rendell, AP
Gready, JE
Citation: Sj. Titmuss et al., Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods applied to enzyme reactions, CHEM P LETT, 320(1-2), 2000, pp. 169-176
Authors:
Greatbanks, SP
Gready, JE
Limaye, AC
Rendell, AP
Citation: Sp. Greatbanks et al., Enzyme polarization of substrates of dihydrofolate reductase by different theoretical methods, PROTEINS, 37(2), 1999, pp. 157-165
Authors:
Bliznyuk, AA
Rendell, AP
Citation: Aa. Bliznyuk et Ap. Rendell, Faster gradients for semiempirical methods, J COMPUT CH, 20(6), 1999, pp. 629-635
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