McCammon JA - Search Results

1

The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme.

Lin JH, Perryman AL, Schames JR, McCammon JA. Lin JH, et al. Among authors: mccammon ja. Biopolymers. 2003 Jan;68(1):47-62. doi: 10.1002/bip.10218. Biopolymers. 2003. PMID: 12579579

2

Anti-insulin antibody structure and conformation. II. Molecular dynamics with explicit solvent.

Tanner JJ, Nell LJ, McCammon JA. Tanner JJ, et al. Among authors: mccammon ja. Biopolymers. 1992 Jan;32(1):23-32. doi: 10.1002/bip.360320105. Biopolymers. 1992. PMID: 1617146

3

A molecular dynamics study of thermodynamic and structural aspects of the hydration of cavities in proteins.

Wade RC, Mazor MH, McCammon JA, Quiocho FA. Wade RC, et al. Among authors: mccammon ja. Biopolymers. 1991 Jul;31(8):919-31. doi: 10.1002/bip.360310802. Biopolymers. 1991. PMID: 1782354

4

Binding of tacrine and 6-chlorotacrine by acetylcholinesterase.

Wlodek ST, Antosiewicz J, McCammon JA, Straatsma TP, Gilson MK, Briggs JM, Humblet C, Sussman JL. Wlodek ST, et al. Among authors: mccammon ja. Biopolymers. 1996 Jan;38(1):109-17. doi: 10.1002/(sici)1097-0282(199601)38:1<109::aid-bip9>3.0.co;2-#. Biopolymers. 1996. PMID: 8679940

5

Acetylcholinesterase: role of the enzyme's charge distribution in steering charged ligands toward the active site.

Antosiewicz J, Wlodek ST, McCammon JA. Antosiewicz J, et al. Among authors: mccammon ja. Biopolymers. 1996 Jul;39(1):85-94. doi: 10.1002/(SICI)1097-0282(199607)39:1%3C85::AID-BIP9%3E3.0.CO;2-R. Biopolymers. 1996. PMID: 8924629

6

Simulation of electrostatic and hydrodynamic properties of Serratia endonuclease.

Antosiewicz J, Miller MD, Krause KL, McCammon JA. Antosiewicz J, et al. Among authors: mccammon ja. Biopolymers. 1997 Apr 5;41(4):443-50. doi: 10.1002/(SICI)1097-0282(19970405)41:4<443::AID-BIP8>3.0.CO;2-M. Biopolymers. 1997. PMID: 9080779

7

Structure-based drug design: computational advances.

Marrone TJ, Briggs JM, McCammon JA. Marrone TJ, et al. Among authors: mccammon ja. Annu Rev Pharmacol Toxicol. 1997;37:71-90. doi: 10.1146/annurev.pharmtox.37.1.71. Annu Rev Pharmacol Toxicol. 1997. PMID: 9131247 Review.

8

Rapid binding of a cationic active site inhibitor to wild type and mutant mouse acetylcholinesterase: Brownian dynamics simulation including diffusion in the active site gorge.

Tara S, Elcock AH, Kirchhoff PD, Briggs JM, Radic Z, Taylor P, McCammon JA. Tara S, et al. Among authors: mccammon ja. Biopolymers. 1998 Dec;46(7):465-74. doi: 10.1002/(SICI)1097-0282(199812)46:7<465::AID-BIP4>3.0.CO;2-Y. Biopolymers. 1998. PMID: 9838872

9

Phosphorylation stabilizes the N-termini of alpha-helices.

Smart JL, McCammon JA. Smart JL, et al. Among authors: mccammon ja. Biopolymers. 1999 Mar;49(3):225-33. doi: 10.1002/(SICI)1097-0282(199903)49:3<225::AID-BIP4>3.0.CO;2-B. Biopolymers. 1999. PMID: 9990840

10

Mouse acetylcholinesterase unliganded and in complex with huperzine A: a comparison of molecular dynamics simulations.

Tara S, Straatsma TP, McCammon JA. Tara S, et al. Among authors: mccammon ja. Biopolymers. 1999 Jul;50(1):35-43. doi: 10.1002/(SICI)1097-0282(199907)50:1<35::AID-BIP4>3.0.CO;2-6. Biopolymers. 1999. PMID: 10341665

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