Swope WC - Search Results

1

Role of hydrophilicity and length of diblock arms for determining star polymer physical properties.

Felberg LE, Brookes DH, Head-Gordon T, Rice JE, Swope WC. Felberg LE, et al. Among authors: swope wc. J Phys Chem B. 2015 Jan 22;119(3):944-57. doi: 10.1021/jp506203k. Epub 2014 Sep 25. J Phys Chem B. 2015. PMID: 25254622 Free article.

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

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

5

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

6

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

7

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.

8

Derivation of fixed partial charges for amino acids accommodating a specific water model and implicit polarization.

Cerutti DS, Rice JE, Swope WC, Case DA. Cerutti DS, et al. Among authors: swope wc. J Phys Chem B. 2013 Feb 28;117(8):2328-38. doi: 10.1021/jp311851r. Epub 2013 Feb 18. J Phys Chem B. 2013. PMID: 23379664 Free PMC article.

9

ff14ipq: A Self-Consistent Force Field for Condensed-Phase Simulations of Proteins.

Cerutti DS, Swope WC, Rice JE, Case DA. Cerutti DS, et al. Among authors: swope wc. J Chem Theory Comput. 2014 Oct 14;10(10):4515-4534. doi: 10.1021/ct500643c. Epub 2014 Sep 18. J Chem Theory Comput. 2014. PMID: 25328495 Free PMC article.

10

Molecular Dynamics Simulations of Star Polymeric Molecules with Diblock Arms, a Comparative Study.

Swope WC, Carr AC, Parker AJ, Sly J, Miller RD, Rice JE. Swope WC, et al. J Chem Theory Comput. 2012 Oct 9;8(10):3733-49. doi: 10.1021/ct300188e. Epub 2012 Jun 8. J Chem Theory Comput. 2012. PMID: 26593017

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

41 results

Search Page

Filters