McCammon JA - Search Results

1

In-situ synthesis of a tacrine-triazole-based inhibitor of acetylcholinesterase: configurational selection imposed by steric interactions.

Senapati S, Cheng Y, McCammon JA. Senapati S, et al. Among authors: mccammon ja. J Med Chem. 2006 Oct 19;49(21):6222-30. doi: 10.1021/jm051132b. J Med Chem. 2006. PMID: 17034128

2

Theoretical study of inhibition of adenosine deaminase by (8R)-coformycin and (8R)-deoxycoformycin.

Marrone TJ, Straatsma TP, Briggs JM, Wilson DK, Quiocho FA, McCammon JA. Marrone TJ, et al. Among authors: mccammon ja. J Med Chem. 1996 Jan 5;39(1):277-84. doi: 10.1021/jm9505674. J Med Chem. 1996. PMID: 8568817

3

Electrostatic influence on the kinetics of ligand binding to acetylcholinesterase. Distinctions between active center ligands and fasciculin.

Radić Z, Kirchhoff PD, Quinn DM, McCammon JA, Taylor P. Radić Z, et al. Among authors: mccammon ja. J Biol Chem. 1997 Sep 12;272(37):23265-77. doi: 10.1074/jbc.272.37.23265. J Biol Chem. 1997. PMID: 9287336 Free article.

4

Calculation of the pKa values for the ligands and side chains of Escherichia coli D-alanine:D-alanine ligase.

Carlson HA, Briggs JM, McCammon JA. Carlson HA, et al. Among authors: mccammon ja. J Med Chem. 1999 Jan 14;42(1):109-17. doi: 10.1021/jm980351c. J Med Chem. 1999. PMID: 9888837

5

Molecular dynamics of mouse acetylcholinesterase complexed with huperzine A.

Tara S, Helms V, Straatsma TP, McCammon JA. Tara S, et al. Among authors: mccammon ja. Biopolymers. 1999 Oct 5;50(4):347-59. doi: 10.1002/(SICI)1097-0282(19991005)50:4<347::AID-BIP1>3.0.CO;2-R. Biopolymers. 1999. PMID: 10423544

6

Developing a dynamic pharmacophore model for HIV-1 integrase.

Carlson HA, Masukawa KM, Rubins K, Bushman FD, Jorgensen WL, Lins RD, Briggs JM, McCammon JA. Carlson HA, et al. Among authors: mccammon ja. J Med Chem. 2000 Jun 1;43(11):2100-14. doi: 10.1021/jm990322h. J Med Chem. 2000. PMID: 10841789

7

Active site binding modes of HIV-1 integrase inhibitors.

Sotriffer CA, Ni H, McCammon JA. Sotriffer CA, et al. Among authors: mccammon ja. J Med Chem. 2000 Nov 2;43(22):4109-17. doi: 10.1021/jm000194t. J Med Chem. 2000. PMID: 11063607

8

Computational analysis of PKA-balanol interactions.

Wong CF, Hünenberger PH, Akamine P, Narayana N, Diller T, McCammon JA, Taylor S, Xuong NH. Wong CF, et al. Among authors: mccammon ja. J Med Chem. 2001 May 10;44(10):1530-9. doi: 10.1021/jm000443d. J Med Chem. 2001. PMID: 11334563

9

Analysis of a 10-ns molecular dynamics simulation of mouse acetylcholinesterase.

Tai K, Shen T, Börjesson U, Philippopoulos M, McCammon JA. Tai K, et al. Among authors: mccammon ja. Biophys J. 2001 Aug;81(2):715-24. doi: 10.1016/S0006-3495(01)75736-0. Biophys J. 2001. PMID: 11463620 Free PMC article.

10

Ordered water and ligand mobility in the HIV-1 integrase-5CITEP complex: a molecular dynamics study.

Ni H, Sotriffer CA, McCammon JA. Ni H, et al. Among authors: mccammon ja. J Med Chem. 2001 Sep 13;44(19):3043-7. doi: 10.1021/jm010205y. J Med Chem. 2001. PMID: 11543671

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