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Results: 12
Ab initio study of the physical nature of interactions between enzyme active site fragments in vacuo
Authors:
Sokalski, WA
Kedzierski, P
Grembecka, J
Citation: Wa. Sokalski et al., Ab initio study of the physical nature of interactions between enzyme active site fragments in vacuo, PHYS CHEM P, 3(5), 2001, pp. 657-663
Authors:
Dziekonski, P
Sokalski, WA
Leszczynski, J
Citation: P. Dziekonski et al., Physical nature of environmental effects on intermolecular proton transferin (O2NOH center dot center dot center dot NH3)(H2O)(n) and (ClH center dot center dot center dot NH3)(H2O)(n) (n=1-3) complexes, CHEM PHYS, 272(1), 2001, pp. 37-45
Authors:
Kedzierski, P
Sokalski, WA
Citation: P. Kedzierski et Wa. Sokalski, Analysis of the transferability of atomic multipoles for amino acids in modeling macromolecular charge distribution from fragments, J COMPUT CH, 22(10), 2001, pp. 1082-1097
Authors:
Sokalski, WA
Gora, RW
Bartkowiak, W
Kobylinski, P
Sworakowski, J
Chyla, A
Leszczynski, J
Citation: Wa. Sokalski et al., New theoretical insight into the thermal cis-trans isomerization of azo compounds: Protonation lowers the activation barrier, J CHEM PHYS, 114(13), 2001, pp. 5504-5508
Authors:
Grembecka, J
Sokalski, WA
Kafarski, P
Citation: J. Grembecka et al., Quantum chemical analysis of the interactions of transition state analogs with leucine aminopeptidase, INT J QUANT, 84(2), 2001, pp. 302-310
Authors:
Grembecka, J
Kedzierski, P
Sokalski, WA
Leszczynski, J
Citation: J. Grembecka et al., Electrostatic models of inhibitory activity, INT J QUANT, 83(3-4), 2001, pp. 180-192
Authors:
Osiadacz, J
Majka, J
Czarnecki, K
Peczynska-Czoch, W
Zakrzewska-Czerwinska, J
Kaczmarek, L
Sokalski, WA
Citation: J. Osiadacz et al., Sequence-selectivity of 5,11-dimethyl-5H-indolo[2,3-b]quinoline binding toDNA. Footprinting and molecular modeling studies, BIO MED CH, 8(5), 2000, pp. 937-943
Authors:
Grembecka, J
Sokalski, WA
Kafarski, P
Citation: J. Grembecka et al., Computer-aided design and activity prediction of leucine aminopeptidase inhibitors, J COMPUT A, 14(6), 2000, pp. 531-544
Authors:
Kedzierski, P
Sokalski, WA
Krauss, M
Citation: P. Kedzierski et al., Nonempirical analysis of nature of catalytic effects in ribonuclease A active site, J COMPUT CH, 21(6), 2000, pp. 432-445
Authors:
Sokalski, WA
Krauss, M
Citation: Wa. Sokalski et M. Krauss, New trends in computational methods - A collection of papers from the Fifth Conference on Computers in Chemistry and the Workshop on New Trends in Computational Methods for Large Molecular Systems, Szklarska Poreba, Poland, 1-6 July 1999 - Preface, COMPUT CHEM, 24(3-4), 2000, pp. 241-242
Authors:
Kaczmarek, L
Peczynska-Czoch, W
Osiadacz, J
Mordarski, M
Sokalski, WA
Boratynski, J
Marcinkowska, E
Glazman-Kusnierczyk, H
Radzikowski, C
Citation: L. Kaczmarek et al., Synthesis, and cytotoxic activity of some novel indolo[2,3-b]quinoline derivatives: DNA topoisomerase II inhibitors, BIO MED CH, 7(11), 1999, pp. 2457-2464
Authors:
Grembecka, J
Kedzierski, P
Sokalski, WA
Citation: J. Grembecka et al., Non-empirical analysis of the nature of the inhibitor-active-site interactions in leucine aminopeptidase, CHEM P LETT, 313(1-2), 1999, pp. 385-392
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