Topol IA - Search Results

1

A quantum mechanical model of the hydration and acidity of the active site in aspartic proteases.

Topol IA, Cachau RE, Burt SK, Erickson JW. Topol IA, et al. Adv Exp Med Biol. 1995;362:549-54. doi: 10.1007/978-1-4615-1871-6_71. Adv Exp Med Biol. 1995. PMID: 8540370 No abstract available.

2

Computer simulation and analysis of the reaction pathway for the decomposition of the hydrated peptide bond in aspartic proteases.

Cachau RE, Topol IA, Burt SK, Silva AM, Erickson JW. Cachau RE, et al. Among authors: topol ia. Adv Exp Med Biol. 1995;362:461-5. doi: 10.1007/978-1-4615-1871-6_60. Adv Exp Med Biol. 1995. PMID: 8540358 No abstract available.

3

Quantum chemical modeling of the GTP hydrolysis by the RAS-GAP protein complex.

Topol IA, Cachau RE, Nemukhin AV, Grigorenko BL, Burt SK. Topol IA, et al. Biochim Biophys Acta. 2004 Jul 1;1700(1):125-36. doi: 10.1016/j.bbapap.2004.04.007. Biochim Biophys Acta. 2004. PMID: 15210132

4

Quantum chemical modeling of reaction mechanism for 2-oxoglutarate dependent enzymes: effect of substitution of iron by nickel and cobalt.

Topol IA, Nemukhin AV, Salnikow K, Cachau RE, Abashkin YG, Kasprzak KS, Burt SK. Topol IA, et al. J Phys Chem A. 2006 Mar 30;110(12):4223-8. doi: 10.1021/jp055633k. J Phys Chem A. 2006. PMID: 16553373

5

alpha- and 3(10)-helix interconversion: a quantum-chemical study on polyalanine systems in the gas phase and in aqueous solvent.

Topol IA, Burt SK, Deretey E, Tang TH, Perczel A, Rashin A, Csizmadia IG. Topol IA, et al. J Am Chem Soc. 2001 Jun 27;123(25):6054-60. doi: 10.1021/ja0038934. J Am Chem Soc. 2001. PMID: 11414838

6

Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.

Baldwin ET, Bhat TN, Gulnik S, Liu B, Topol IA, Kiso Y, Mimoto T, Mitsuya H, Erickson JW. Baldwin ET, et al. Among authors: topol ia. Structure. 1995 Jun 15;3(6):581-90. doi: 10.1016/s0969-2126(01)00192-7. Structure. 1995. PMID: 8590019 Free article.

7

All-atom models for the non-nucleoside binding site of HIV-1 reverse transcriptase complexed with inhibitors: a 3D QSAR approach.

Gussio R, Pattabiraman N, Zaharevitz DW, Kellogg GE, Topol IA, Rice WG, Schaeffer CA, Erickson JW, Burt SK. Gussio R, et al. Among authors: topol ia. J Med Chem. 1996 Apr 12;39(8):1645-50. doi: 10.1021/jm9508088. J Med Chem. 1996. PMID: 8648604

8

Molecular mechanisms of resistance: free energy calculations of mutation effects on inhibitor binding to HIV-1 protease.

Rick SW, Topol IA, Erickson JW, Burt SK. Rick SW, et al. Among authors: topol ia. Protein Sci. 1998 Aug;7(8):1750-6. doi: 10.1002/pro.5560070809. Protein Sci. 1998. PMID: 10082371 Free PMC article.

9

Theoretical calculations of glycine and alanine gas-phase acidities.

Topol IA, Burt SK, Russo N, Toscano M. Topol IA, et al. J Am Soc Mass Spectrom. 1999 Apr;10(4):318-22. doi: 10.1016/S1044-0305(98)00160-3. J Am Soc Mass Spectrom. 1999. PMID: 10197352 Free article.

10

Theoretical studies on the hydrolysis of mono-phosphate and tri-phosphate in gas phase and aqueous solution.

Wang YN, Topol IA, Collins JR, Burt SK. Wang YN, et al. Among authors: topol ia. J Am Chem Soc. 2003 Oct 29;125(43):13265-73. doi: 10.1021/ja0279794. J Am Chem Soc. 2003. PMID: 14570503

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