Hummer G - Search Results

1

Protein side-chain motion and hydration in proton-transfer pathways. Results for cytochrome p450cam.

Taraphder S, Hummer G. Taraphder S, et al. Among authors: hummer g. J Am Chem Soc. 2003 Apr 2;125(13):3931-40. doi: 10.1021/ja016860c. J Am Chem Soc. 2003. PMID: 12656628

2

Catalytic mechanism of RNA backbone cleavage by ribonuclease H from quantum mechanics/molecular mechanics simulations.

Rosta E, Nowotny M, Yang W, Hummer G. Rosta E, et al. Among authors: hummer g. J Am Chem Soc. 2011 Jun 15;133(23):8934-41. doi: 10.1021/ja200173a. Epub 2011 May 24. J Am Chem Soc. 2011. PMID: 21539371 Free PMC article.

3

Atomistic insights into rhodopsin activation from a dynamic model.

Tikhonova IG, Best RB, Engel S, Gershengorn MC, Hummer G, Costanzi S. Tikhonova IG, et al. Among authors: hummer g. J Am Chem Soc. 2008 Aug 6;130(31):10141-9. doi: 10.1021/ja0765520. Epub 2008 Jul 12. J Am Chem Soc. 2008. PMID: 18620390 Free PMC article.

4

Energetics of direct and water-mediated proton-coupled electron transfer.

Kaila VR, Hummer G. Kaila VR, et al. Among authors: hummer g. J Am Chem Soc. 2011 Nov 30;133(47):19040-3. doi: 10.1021/ja2082262. Epub 2011 Nov 9. J Am Chem Soc. 2011. PMID: 21988482

5

Energetics and dynamics of proton transfer reactions along short water wires.

Kaila VR, Hummer G. Kaila VR, et al. Among authors: hummer g. Phys Chem Chem Phys. 2011 Aug 7;13(29):13207-15. doi: 10.1039/c1cp21112a. Epub 2011 Jun 23. Phys Chem Chem Phys. 2011. PMID: 21701719 Free PMC article.

6

How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study.

Turjanski AG, Hummer G, Gutkind JS. Turjanski AG, et al. Among authors: hummer g. J Am Chem Soc. 2009 May 6;131(17):6141-8. doi: 10.1021/ja8071995. J Am Chem Soc. 2009. PMID: 19361221 Free PMC article.

7

Peptide loop-closure kinetics from microsecond molecular dynamics simulations in explicit solvent.

Yeh IC, Hummer G. Yeh IC, et al. Among authors: hummer g. J Am Chem Soc. 2002 Jun 12;124(23):6563-8. doi: 10.1021/ja025789n. J Am Chem Soc. 2002. PMID: 12047175

8

Protein folding kinetics under force from molecular simulation.

Best RB, Hummer G. Best RB, et al. Among authors: hummer g. J Am Chem Soc. 2008 Mar 26;130(12):3706-7. doi: 10.1021/ja0762691. Epub 2008 Feb 29. J Am Chem Soc. 2008. PMID: 18307341

9

Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I.

Kaila VR, Wikström M, Hummer G. Kaila VR, et al. Among authors: hummer g. Proc Natl Acad Sci U S A. 2014 May 13;111(19):6988-93. doi: 10.1073/pnas.1319156111. Epub 2014 Apr 28. Proc Natl Acad Sci U S A. 2014. PMID: 24778264 Free PMC article.

10

Effects of electric fields on proton transport through water chains.

Hassan SA, Hummer G, Lee YS. Hassan SA, et al. Among authors: hummer g. J Chem Phys. 2006 May 28;124(20):204510. doi: 10.1063/1.2198820. J Chem Phys. 2006. PMID: 16774356 Free PMC article.

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