Swope WC - Search Results

1

Effect of Hydrophobic Core Topology and Composition on the Structure and Kinetics of Star Polymers: A Molecular Dynamics Study.

Carr AC, Felberg LE, Piunova VA, Rice JE, Head-Gordon T, Swope WC. Carr AC, et al. Among authors: swope wc. J Phys Chem B. 2017 Apr 6;121(13):2902-2918. doi: 10.1021/acs.jpcb.7b00865. Epub 2017 Mar 28. J Phys Chem B. 2017. PMID: 28290691

2

FLASHFLOOD: a 3D field-based similarity search and alignment method for flexible molecules.

Pitman MC, Huber WK, Horn H, Krämer A, Rice JE, Swope WC. Pitman MC, et al. Among authors: swope wc. J Comput Aided Mol Des. 2001 Jul;15(7):587-612. doi: 10.1023/a:1011921423829. J Comput Aided Mol Des. 2001. PMID: 11688943

3

Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew.

Horn HW, Swope WC, Pitera JW, Madura JD, Dick TJ, Hura GL, Head-Gordon T. Horn HW, et al. Among authors: swope wc. J Chem Phys. 2004 May 22;120(20):9665-78. doi: 10.1063/1.1683075. J Chem Phys. 2004. PMID: 15267980

4

Interfacial fluctuations of block copolymers: a coarse-grain molecular dynamics simulation study.

Srinivas G, Swope WC, Pitera JW. Srinivas G, et al. Among authors: swope wc. J Phys Chem B. 2007 Dec 13;111(49):13734-42. doi: 10.1021/jp073347y. Epub 2007 Nov 20. J Phys Chem B. 2007. PMID: 18020436

5

The reaction mechanism for the organocatalytic ring-opening polymerization of l-lactide using a guanidine-based catalyst: hydrogen-bonded or covalently bound?

Chuma A, Horn HW, Swope WC, Pratt RC, Zhang L, Lohmeijer BG, Wade CG, Waymouth RM, Hedrick JL, Rice JE. Chuma A, et al. Among authors: swope wc. J Am Chem Soc. 2008 May 28;130(21):6749-54. doi: 10.1021/ja0764411. Epub 2008 May 3. J Am Chem Soc. 2008. PMID: 18454532

6

Accounting for polarization cost when using fixed charge force fields. II. Method and application for computing effect of polarization cost on free energy of hydration.

Swope WC, Horn HW, Rice JE. Swope WC, et al. J Phys Chem B. 2010 Jul 8;114(26):8631-45. doi: 10.1021/jp911701h. J Phys Chem B. 2010. PMID: 20540502

7

Accounting for polarization cost when using fixed charge force fields. I. Method for computing energy.

Swope WC, Horn HW, Rice JE. Swope WC, et al. J Phys Chem B. 2010 Jul 8;114(26):8621-30. doi: 10.1021/jp911699p. J Phys Chem B. 2010. PMID: 20540503

8

Reducing lambda repressor to the core.

Prigozhin MB, Sarkar K, Law D, Swope WC, Gruebele M, Pitera J. Prigozhin MB, et al. Among authors: swope wc. J Phys Chem B. 2011 Mar 10;115(9):2090-6. doi: 10.1021/jp110175x. Epub 2011 Feb 14. J Phys Chem B. 2011. PMID: 21319829

9

Alchemical prediction of hydration free energies for SAMPL.

Mobley DL, Liu S, Cerutti DS, Swope WC, Rice JE. Mobley DL, et al. Among authors: swope wc. J Comput Aided Mol Des. 2012 May;26(5):551-62. doi: 10.1007/s10822-011-9528-8. Epub 2011 Dec 24. J Comput Aided Mol Des. 2012. PMID: 22198475 Free PMC article.

10

Toward biodegradable nanogel star polymers via organocatalytic ROP.

Appel EA, Lee VY, Nguyen TT, McNeil M, Nederberg F, Hedrick JL, Swope WC, Rice JE, Miller RD, Sly J. Appel EA, et al. Among authors: swope wc. Chem Commun (Camb). 2012 Jun 21;48(49):6163-5. doi: 10.1039/c2cc31406a. Epub 2012 May 16. Chem Commun (Camb). 2012. PMID: 22590707

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