Layten M - Search Results

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The open structure of a multi-drug-resistant HIV-1 protease is stabilized by crystal packing contacts.

Layten M, Hornak V, Simmerling C. Layten M, et al. J Am Chem Soc. 2006 Oct 18;128(41):13360-1. doi: 10.1021/ja065133k. J Am Chem Soc. 2006. PMID: 17031940 Free PMC article.

Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments.

Ding F, Layten M, Simmerling C. Ding F, et al. Among authors: layten m. J Am Chem Soc. 2008 Jun 11;130(23):7184-5. doi: 10.1021/ja800893d. Epub 2008 May 15. J Am Chem Soc. 2008. PMID: 18479129 Free PMC article.

Investigation of Salt Bridge Stability in a Generalized Born Solvent Model.

Geney R, Layten M, Gomperts R, Hornak V, Simmerling C. Geney R, et al. Among authors: layten m. J Chem Theory Comput. 2006 Jan;2(1):115-27. doi: 10.1021/ct050183l. J Chem Theory Comput. 2006. PMID: 26626386

Improved Efficiency of Replica Exchange Simulations through Use of a Hybrid Explicit/Implicit Solvation Model.

Okur A, Wickstrom L, Layten M, Geney R, Song K, Hornak V, Simmerling C. Okur A, et al. Among authors: layten m. J Chem Theory Comput. 2006 Mar;2(2):420-33. doi: 10.1021/ct050196z. J Chem Theory Comput. 2006. PMID: 26626529

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