Henchman RH - Search Results

1

Molecular dynamics of acetylcholinesterase.

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

2

Properties of water molecules in the active site gorge of acetylcholinesterase from computer simulation.

Henchman RH, Tai K, Shen T, McCammon JA. Henchman RH, et al. Biophys J. 2002 May;82(5):2671-82. doi: 10.1016/S0006-3495(02)75609-9. Biophys J. 2002. PMID: 11964254 Free PMC article.

3

Mechanism of acetylcholinesterase inhibition by fasciculin: a 5-ns molecular dynamics simulation.

Tai K, Shen T, Henchman RH, Bourne Y, Marchot P, McCammon JA. Tai K, et al. Among authors: henchman rh. J Am Chem Soc. 2002 May 29;124(21):6153-61. doi: 10.1021/ja017310h. J Am Chem Soc. 2002. PMID: 12022850

4

Structural and dynamic properties of water around acetylcholinesterase.

Henchman RH, McCammon JA. Henchman RH, et al. Protein Sci. 2002 Sep;11(9):2080-90. doi: 10.1110/ps.0214002. Protein Sci. 2002. PMID: 12192064 Free PMC article.

5

The dynamics of ligand barrier crossing inside the acetylcholinesterase gorge.

Bui JM, Henchman RH, McCammon JA. Bui JM, et al. Among authors: henchman rh. Biophys J. 2003 Oct;85(4):2267-72. doi: 10.1016/S0006-3495(03)74651-7. Biophys J. 2003. PMID: 14507691 Free PMC article.

6

Asymmetric structural motions of the homomeric alpha7 nicotinic receptor ligand binding domain revealed by molecular dynamics simulation.

Henchman RH, Wang HL, Sine SM, Taylor P, McCammon JA. Henchman RH, et al. Biophys J. 2003 Nov;85(5):3007-18. doi: 10.1016/S0006-3495(03)74720-1. Biophys J. 2003. PMID: 14581202 Free PMC article.

7

Extracting hydration sites around proteins from explicit water simulations.

Henchman RH, McCammon JA. Henchman RH, et al. J Comput Chem. 2002 Jul 15;23(9):861-9. doi: 10.1002/jcc.10074. J Comput Chem. 2002. PMID: 11984847

8

From model complexes to metalloprotein inhibition: a synergistic approach to structure-based drug discovery.

Puerta DT, Schames JR, Henchman RH, McCammon JA, Cohen SM. Puerta DT, et al. Among authors: henchman rh. Angew Chem Int Ed Engl. 2003 Aug 18;42(32):3772-4. doi: 10.1002/anie.200351433. Angew Chem Int Ed Engl. 2003. PMID: 12923840 No abstract available.

9

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy.

Swanson JM, Henchman RH, McCammon JA. Swanson JM, et al. Among authors: henchman rh. Biophys J. 2004 Jan;86(1 Pt 1):67-74. doi: 10.1016/S0006-3495(04)74084-9. Biophys J. 2004. PMID: 14695250 Free PMC article.

10

Discovery of a novel binding trench in HIV integrase.

Schames JR, Henchman RH, Siegel JS, Sotriffer CA, Ni H, McCammon JA. Schames JR, et al. Among authors: henchman rh. J Med Chem. 2004 Apr 8;47(8):1879-81. doi: 10.1021/jm0341913. J Med Chem. 2004. PMID: 15055986

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