Pfaendtner J - Search Results

1

Characterizing the catalyzed hydrolysis of β-1,4 glycosidic bonds using density functional theory.

Fleming KL, Pfaendtner J. Fleming KL, et al. Among authors: pfaendtner j. J Phys Chem A. 2013 Dec 27;117(51):14200-8. doi: 10.1021/jp4081178. Epub 2013 Dec 10. J Phys Chem A. 2013. PMID: 24266504

2

Ab initio study of acrylate polymerization reactions: methyl methacrylate and methyl acrylate propagation.

Yu X, Pfaendtner J, Broadbelt LJ. Yu X, et al. Among authors: pfaendtner j. J Phys Chem A. 2008 Jul 24;112(29):6772-82. doi: 10.1021/jp800643a. Epub 2008 Jun 28. J Phys Chem A. 2008. PMID: 18588274

3

Structural and dynamic features of Candida rugosa lipase 1 in water, octane, toluene, and ionic liquids BMIM-PF6 and BMIM-NO3.

Burney PR, Pfaendtner J. Burney PR, et al. Among authors: pfaendtner j. J Phys Chem B. 2013 Mar 7;117(9):2662-70. doi: 10.1021/jp312299d. Epub 2013 Feb 27. J Phys Chem B. 2013. PMID: 23387335

4

Free energy of solvated salt bridges: a simulation and experimental study.

White AD, Keefe AJ, Ella-Menye JR, Nowinski AK, Shao Q, Pfaendtner J, Jiang S. White AD, et al. Among authors: pfaendtner j. J Phys Chem B. 2013 Jun 20;117(24):7254-9. doi: 10.1021/jp4024469. Epub 2013 Jun 11. J Phys Chem B. 2013. PMID: 23697872

5

The general AMBER force field (GAFF) can accurately predict thermodynamic and transport properties of many ionic liquids.

Sprenger KG, Jaeger VW, Pfaendtner J. Sprenger KG, et al. Among authors: pfaendtner j. J Phys Chem B. 2015 May 7;119(18):5882-95. doi: 10.1021/acs.jpcb.5b00689. Epub 2015 Apr 27. J Phys Chem B. 2015. PMID: 25853313

6

Trp-Cage Folding on Organic Surfaces.

Levine ZA, Fischer SA, Shea JE, Pfaendtner J. Levine ZA, et al. Among authors: pfaendtner j. J Phys Chem B. 2015 Aug 20;119(33):10417-25. doi: 10.1021/acs.jpcb.5b04213. Epub 2015 Aug 5. J Phys Chem B. 2015. PMID: 26207727

7

New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations.

Fleming KL, Tiwary P, Pfaendtner J. Fleming KL, et al. Among authors: pfaendtner j. J Phys Chem A. 2016 Jan 21;120(2):299-305. doi: 10.1021/acs.jpca.5b10667. Epub 2016 Jan 7. J Phys Chem A. 2016. PMID: 26690335

8

Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids As Determined by Molecular Simulations.

Sprenger KG, Choudhury A, Kaar JL, Pfaendtner J. Sprenger KG, et al. Among authors: pfaendtner j. J Phys Chem B. 2016 Apr 28;120(16):3863-72. doi: 10.1021/acs.jpcb.6b01688. Epub 2016 Apr 19. J Phys Chem B. 2016. PMID: 27052057

9

Chain Flexibility in Self-Assembled Monolayers Affects Protein Adsorption and Surface Hydration: A Molecular Dynamics Study.

Beckner W, He Y, Pfaendtner J. Beckner W, et al. Among authors: pfaendtner j. J Phys Chem B. 2016;120(40):10423-10432. doi: 10.1021/acs.jpcb.6b05882. Epub 2016 Oct 4. J Phys Chem B. 2016. PMID: 27643945

10

Destabilization of Human Serum Albumin by Ionic Liquids Studied Using Enhanced Molecular Dynamics Simulations.

Jaeger VW, Pfaendtner J. Jaeger VW, et al. Among authors: pfaendtner j. J Phys Chem B. 2016 Dec 1;120(47):12079-12087. doi: 10.1021/acs.jpcb.6b09410. Epub 2016 Nov 21. J Phys Chem B. 2016. PMID: 27809527

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