Klein ML - Search Results

1

Controlling the conformation of arylamides: computational studies of intramolecular hydrogen bonds between amides and ethers or thioethers.

Doerksen RJ, Chen B, Liu D, Tew GN, Degrado WF, Klein ML. Doerksen RJ, et al. Among authors: klein ml. Chemistry. 2004 Oct 11;10(20):5008-16. doi: 10.1002/chem.200400176. Chemistry. 2004. PMID: 15372664

2

Controlling the shape and flexibility of arylamides: a combined ab initio, ab initio molecular dynamics, and classical molecular dynamics study.

Pophristic V, Vemparala S, Ivanov I, Liu Z, Klein ML, DeGrado WF. Pophristic V, et al. Among authors: klein ml. J Phys Chem B. 2006 Mar 2;110(8):3517-26. doi: 10.1021/jp054306+. J Phys Chem B. 2006. PMID: 16494407

3

De novo design of biomimetic antimicrobial polymers.

Tew GN, Liu D, Chen B, Doerksen RJ, Kaplan J, Carroll PJ, Klein ML, DeGrado WF. Tew GN, et al. Among authors: klein ml. Proc Natl Acad Sci U S A. 2002 Apr 16;99(8):5110-4. doi: 10.1073/pnas.082046199. Proc Natl Acad Sci U S A. 2002. PMID: 11959961 Free PMC article.

4

Novel conformationally-constrained beta-peptides characterized by 1H NMR chemical shifts.

Doerksen RJ, Chen B, Yuan J, Winkler JD, Klein ML. Doerksen RJ, et al. Among authors: klein ml. Chem Commun (Camb). 2003 Oct 21;(20):2534-5. doi: 10.1039/b309584c. Chem Commun (Camb). 2003. PMID: 14594267

5

Nontoxic membrane-active antimicrobial arylamide oligomers.

Liu D, Choi S, Chen B, Doerksen RJ, Clements DJ, Winkler JD, Klein ML, DeGrado WF. Liu D, et al. Among authors: klein ml. Angew Chem Int Ed Engl. 2004 Feb 20;43(9):1158-62. doi: 10.1002/anie.200352791. Angew Chem Int Ed Engl. 2004. PMID: 14983462 No abstract available.

6

The design and evaluation of heparin-binding foldamers.

Choi S, Clements DJ, Pophristic V, Ivanov I, Vemparala S, Bennett JS, Klein ML, Winkler JD, DeGrado WF. Choi S, et al. Among authors: klein ml. Angew Chem Int Ed Engl. 2005 Oct 21;44(41):6685-9. doi: 10.1002/anie.200501279. Angew Chem Int Ed Engl. 2005. PMID: 16094685 No abstract available.

7

Structural and dynamical properties of manganese catalase and the synthetic protein DF1 and their implication for reactivity from classical molecular dynamics calculations.

Spiegel K, De Grado WF, Klein ML. Spiegel K, et al. Among authors: klein ml. Proteins. 2006 Nov 1;65(2):317-30. doi: 10.1002/prot.21113. Proteins. 2006. PMID: 16917908

8

Relative pKa values from first-principles molecular dynamics: the case of histidine deprotonation.

Ivanov I, Chen B, Raugei S, Klein ML. Ivanov I, et al. Among authors: klein ml. J Phys Chem B. 2006 Mar 30;110(12):6365-71. doi: 10.1021/jp056750i. J Phys Chem B. 2006. PMID: 16553455

9

Biomimetic facially amphiphilic antibacterial oligomers with conformationally stiff backbones.

Tang H, Doerksen RJ, Jones TV, Klein ML, Tew GN. Tang H, et al. Among authors: klein ml. Chem Biol. 2006 Apr;13(4):427-35. doi: 10.1016/j.chembiol.2006.02.007. Chem Biol. 2006. PMID: 16632255

10

De novo design of antimicrobial polymers, foldamers, and small molecules: from discovery to practical applications.

Tew GN, Scott RW, Klein ML, Degrado WF. Tew GN, et al. Among authors: klein ml. Acc Chem Res. 2010 Jan 19;43(1):30-9. doi: 10.1021/ar900036b. Acc Chem Res. 2010. PMID: 19813703 Free PMC article.

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