McCammon JA - Search Results

1

Target flexibility in molecular recognition.

McCammon JA. McCammon JA. Biochim Biophys Acta. 2005 Dec 30;1754(1-2):221-4. doi: 10.1016/j.bbapap.2005.07.041. Epub 2005 Sep 12. Biochim Biophys Acta. 2005. PMID: 16181817 Review.

2

Brownian and essential dynamics studies of the HIV-1 integrase catalytic domain.

Weber W, Demirdjian H, Lins RD, Briggs JM, Ferreira R, McCammon JA. Weber W, et al. Among authors: mccammon ja. J Biomol Struct Dyn. 1998 Dec;16(3):733-45. doi: 10.1080/07391102.1998.10508285. J Biomol Struct Dyn. 1998. PMID: 10052629

3

Molecular dynamics studies on the HIV-1 integrase catalytic domain.

Lins RD, Briggs JM, Straatsma TP, Carlson HA, Greenwald J, Choe S, McCammon JA. Lins RD, et al. Among authors: mccammon ja. Biophys J. 1999 Jun;76(6):2999-3011. doi: 10.1016/s0006-3495(99)77453-9. Biophys J. 1999. PMID: 10354426 Free PMC article.

4

Accommodating protein flexibility in computational drug design.

Carlson HA, McCammon JA. Carlson HA, et al. Among authors: mccammon ja. Mol Pharmacol. 2000 Feb;57(2):213-8. Mol Pharmacol. 2000. PMID: 10648630 Review. No abstract available.

5

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

6

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

7

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

8

Computational drug design accommodating receptor flexibility: the relaxed complex scheme.

Lin JH, Perryman AL, Schames JR, McCammon JA. Lin JH, et al. Among authors: mccammon ja. J Am Chem Soc. 2002 May 22;124(20):5632-3. doi: 10.1021/ja0260162. J Am Chem Soc. 2002. PMID: 12010024

9

Molecular dynamics of acetylcholinesterase.

Shen T, Tai K, Henchman RH, McCammon JA. Shen T, et al. Among authors: mccammon ja. Acc Chem Res. 2002 Jun;35(6):332-40. doi: 10.1021/ar010025i. Acc Chem Res. 2002. PMID: 12069617 Review.

10

Studying enzyme binding specificity in acetylcholinesterase using a combined molecular dynamics and multiple docking approach.

Kua J, Zhang Y, McCammon JA. Kua J, et al. Among authors: mccammon ja. J Am Chem Soc. 2002 Jul 17;124(28):8260-7. doi: 10.1021/ja020429l. J Am Chem Soc. 2002. PMID: 12105904

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