Klein ML - Search Results

1

Proton shuttles and phosphatase activity in soluble epoxide hydrolase.

De Vivo M, Ensing B, Dal Peraro M, Gomez GA, Christianson DW, Klein ML. De Vivo M, et al. Among authors: klein ml. J Am Chem Soc. 2007 Jan 17;129(2):387-94. doi: 10.1021/ja066150c. J Am Chem Soc. 2007. PMID: 17212419 Free PMC article.

2

Influence of highly polyunsaturated lipid acyl chains of biomembranes on the NMR order parameters.

Saiz L, Klein ML. Saiz L, et al. Among authors: klein ml. J Am Chem Soc. 2001 Aug 1;123(30):7381-7. doi: 10.1021/ja003987d. J Am Chem Soc. 2001. PMID: 11472169

3

First-principles study of aqueous hydroxide solutions.

Chen B, Park JM, Ivanov I, Tabacchi G, Klein ML, Parrinello M. Chen B, et al. Among authors: klein ml. J Am Chem Soc. 2002 Jul 24;124(29):8534-5. doi: 10.1021/ja020350g. J Am Chem Soc. 2002. PMID: 12121087

4

Vapor-liquid interfacial properties of mutually saturated water/1-butanol solutions.

Chen B, Siepmann JI, Klein ML. Chen B, et al. Among authors: klein ml. J Am Chem Soc. 2002 Oct 16;124(41):12232-7. doi: 10.1021/ja027130n. J Am Chem Soc. 2002. PMID: 12371864

5

Deprotonation of a histidine residue in aqueous solution using constrained ab initio molecular dynamics.

Ivanov I, Klein ML. Ivanov I, et al. Among authors: klein ml. J Am Chem Soc. 2002 Nov 13;124(45):13380-1. doi: 10.1021/ja027972m. J Am Chem Soc. 2002. PMID: 12418879

6

Simulating the nucleation of water/ethanol and water/n-nonane mixtures: mutual enhancement and two-pathway mechanism.

Chen B, Siepmann JI, Klein ML. Chen B, et al. Among authors: klein ml. J Am Chem Soc. 2003 Mar 12;125(10):3113-8. doi: 10.1021/ja029006+. J Am Chem Soc. 2003. PMID: 12617679

7

A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ion.

Ensing B, Laio A, Gervasio FL, Parrinello M, Klein ML. Ensing B, et al. Among authors: klein ml. J Am Chem Soc. 2004 Aug 11;126(31):9492-3. doi: 10.1021/ja048285t. J Am Chem Soc. 2004. PMID: 15291524

8

Structure and dynamics of model pore insertion into a membrane.

Lopez CF, Nielsen SO, Ensing B, Moore PB, Klein ML. Lopez CF, et al. Among authors: klein ml. Biophys J. 2005 May;88(5):3083-94. doi: 10.1529/biophysj.104.053769. Epub 2005 Feb 18. Biophys J. 2005. PMID: 15722425 Free PMC article.

9

Dynamical flexibility and proton transfer in the arginase active site probed by ab initio molecular dynamics.

Ivanov I, Klein ML. Ivanov I, et al. Among authors: klein ml. J Am Chem Soc. 2005 Mar 23;127(11):4010-20. doi: 10.1021/ja043693i. J Am Chem Soc. 2005. PMID: 15771538

10

Lipid bilayer perturbations around a transmembrane nanotube: a coarse grain molecular dynamics study.

Nielsen SO, Ensing B, Ortiz V, Moore PB, Klein ML. Nielsen SO, et al. Among authors: klein ml. Biophys J. 2005 Jun;88(6):3822-8. doi: 10.1529/biophysj.104.057703. Epub 2005 Mar 18. Biophys J. 2005. PMID: 15778436 Free PMC article.

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