AAAAAA
Results:
1-21
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Results: 21
Authors:
Brandsdal, BO
Aqvist, J
Smalas, AO
Citation: Bo. Brandsdal et al., Computational analysis of binding of P1 variants to trypsin, PROTEIN SCI, 10(8), 2001, pp. 1584-1595
Authors:
Marelius, J
Ljungberg, KB
Aqvist, J
Citation: J. Marelius et al., Sensitivity of an empirical affinity scoring function to changes in receptor-ligand complex conformations, EUR J PH SC, 14(1), 2001, pp. 87-95
Authors:
Ljungberg, KB
Marelius, J
Musil, D
Svensson, P
Norden, B
Aqvist, J
Citation: Kb. Ljungberg et al., Computational modelling of inhibitor binding to human thrombin, EUR J PH SC, 12(4), 2001, pp. 441-446
Authors:
Luzhkov, VB
Aqvist, J
Citation: Vb. Luzhkov et J. Aqvist, K+/Na+ selectivity of the KcsA potassium channel from microscopic free energy perturbation calculations, BBA-PROT ST, 1548(2), 2001, pp. 194-202
Authors:
Graffner-Nordberg, M
Kolmodin, K
Aqvist, J
Queener, SF
Hallberg, A
Citation: M. Graffner-nordberg et al., Design, synthesis, computational prediction, and biological evaluation of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystiscarinii, J MED CHEM, 44(15), 2001, pp. 2391-2402
Authors:
Brandsdal, BO
Smalas, AO
Aqvist, J
Citation: Bo. Brandsdal et al., Electrostatic effects play a central role in cold adaptation of trypsin, FEBS LETTER, 499(1-2), 2001, pp. 171-175
Authors:
Kolmodin, K
Aqvist, J
Citation: K. Kolmodin et J. Aqvist, The catalytic mechanism of protein tyrosine phosphatases revisited, FEBS LETTER, 498(2-3), 2001, pp. 208-213
Authors:
Luzhkov, VB
Aqvist, J
Citation: Vb. Luzhkov et J. Aqvist, Mechanisms of tetraethylammonium ion block in the KcsA potassium channel, FEBS LETTER, 495(3), 2001, pp. 191-196
Authors:
Luzhkov, VB
Aqvist, J
Citation: Vb. Luzhkov et J. Aqvist, A computational study of ion binding and protonation states in the KcsA potassium channel, BBA-PROT ST, 1481(2), 2000, pp. 360-370
Authors:
Aqvist, J
Luzhkov, V
Citation: J. Aqvist et V. Luzhkov, Ion permeation mechanism of the potassium channel, NATURE, 404(6780), 2000, pp. 881-884
Authors:
Graffner-Nordberg, M
Marelius, J
Ohlsson, S
Persson, A
Swedberg, G
Andersson, P
Andersson, SE
Aqvist, J
Hallberg, A
Citation: M. Graffner-nordberg et al., Computational predictions of binding affinities to dihydrofolate reductase: Synthesis and biological evaluation of methotrexate analogues, J MED CHEM, 43(21), 2000, pp. 3852-3861
Authors:
Feierberg, I
Luzhkov, V
Aqvist, J
Citation: I. Feierberg et al., Computer simulation of primary kinetic isotope effects in the proposed rate-limiting step of the glyoxalase I catalyzed reaction, J BIOL CHEM, 275(30), 2000, pp. 22657-22662
Authors:
Kolmodin, K
Aqvist, J
Citation: K. Kolmodin et J. Aqvist, Prediction of a ligand-induced conformational change in the catalytic coreof Cdc25A, FEBS LETTER, 465(1), 2000, pp. 8-11
Authors:
Vagedes, P
Rabenstein, B
Aqvist, J
Marelius, J
Knapp, EW
Citation: P. Vagedes et al., The deacylation step of acetylcholinesterase: Computer simulation studies, J AM CHEM S, 122(49), 2000, pp. 12254-12262
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
Authors:
Kolmodin, K
Nordlund, P
Aqvist, J
Citation: K. Kolmodin et al., Mechanism of substrate dephosphorylation in low M-r protein tyrosine phosphatase, PROTEINS, 36(3), 1999, pp. 370-379
Computational modeling of catalysis and binding in low-molecular-weight protein tyrosine phosphatase
Authors:
Kolmodin, K
Aqvist, J
Citation: K. Kolmodin et J. Aqvist, Computational modeling of catalysis and binding in low-molecular-weight protein tyrosine phosphatase, INT J QUANT, 73(2), 1999, pp. 147-159
Authors:
Aqvist, J
Citation: J. Aqvist, Long-range electrostatic effects on peptide folding, FEBS LETTER, 457(3), 1999, pp. 414-418
Authors:
Kolmodin, K
Aqvist, J
Citation: K. Kolmodin et J. Aqvist, Computational modeling of the rate limiting step in low molecular weight protein tyrosine phosphatase, FEBS LETTER, 456(2), 1999, pp. 301-305
Authors:
Feierberg, I
Cameron, AD
Aqvist, J
Citation: I. Feierberg et al., Energetics of the proposed rate-determining step of the glyoxalase I reaction, FEBS LETTER, 453(1-2), 1999, pp. 90-94
Authors:
Luzhkov, V
Aqvist, J
Citation: V. Luzhkov et J. Aqvist, Free-energy perturbation calculations of binding and transition-state energies: hydrolysis of phenyl esters by beta-cyclodextrin, CHEM P LETT, 302(3-4), 1999, pp. 267-272
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