Lee MS - Search Results

1

Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.

Feig M, Onufriev A, Lee MS, Im W, Case DA, Brooks CL 3rd. Feig M, et al. Among authors: lee ms. J Comput Chem. 2004 Jan 30;25(2):265-84. doi: 10.1002/jcc.10378. J Comput Chem. 2004. PMID: 14648625

2

New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.

Lee MS, Feig M, Salsbury FR Jr, Brooks CL 3rd. Lee MS, et al. J Comput Chem. 2003 Aug;24(11):1348-56. doi: 10.1002/jcc.10272. J Comput Chem. 2003. PMID: 12827676

3

Generalized born model with a simple smoothing function.

Im W, Lee MS, Brooks CL 3rd. Im W, et al. Among authors: lee ms. J Comput Chem. 2003 Nov 15;24(14):1691-702. doi: 10.1002/jcc.10321. J Comput Chem. 2003. PMID: 12964188

4

Sampling of near-native protein conformations during protein structure refinement using a coarse-grained model, normal modes, and molecular dynamics simulations.

Stumpff-Kane AW, Maksimiak K, Lee MS, Feig M. Stumpff-Kane AW, et al. Among authors: lee ms. Proteins. 2008 Mar;70(4):1345-56. doi: 10.1002/prot.21674. Proteins. 2008. PMID: 17876825

5

Constant-pH molecular dynamics using continuous titration coordinates.

Lee MS, Salsbury FR Jr, Brooks CL 3rd. Lee MS, et al. Proteins. 2004 Sep 1;56(4):738-52. doi: 10.1002/prot.20128. Proteins. 2004. PMID: 15281127

6

Comparison between self-guided Langevin dynamics and molecular dynamics simulations for structure refinement of protein loop conformations.

Olson MA, Chaudhury S, Lee MS. Olson MA, et al. Among authors: lee ms. J Comput Chem. 2011 Nov 15;32(14):3014-22. doi: 10.1002/jcc.21883. Epub 2011 Jul 25. J Comput Chem. 2011. PMID: 21793008

7

Application of replica exchange umbrella sampling to protein structure refinement of nontemplate models.

Olson MA, Lee MS. Olson MA, et al. Among authors: lee ms. J Comput Chem. 2013 Jul 30;34(20):1785-93. doi: 10.1002/jcc.23325. Epub 2013 May 23. J Comput Chem. 2013. PMID: 23703032

8

Evaluation of Poisson solvation models using a hybrid explicit/implicit solvent method.

Lee MS, Olson MA. Lee MS, et al. J Phys Chem B. 2005 Mar 24;109(11):5223-36. doi: 10.1021/jp046377z. J Phys Chem B. 2005. PMID: 16863188

9

Membrane insertion of fusion peptides from Ebola and Marburg viruses studied by replica-exchange molecular dynamics simulations.

Olson MA, Lee MS, Yeh IC. Olson MA, et al. Among authors: lee ms. J Comput Chem. 2017 Jun 15;38(16):1342-1352. doi: 10.1002/jcc.24717. Epub 2017 Jan 28. J Comput Chem. 2017. PMID: 28130780

10

Calculation of protein heat capacity from replica-exchange molecular dynamics simulations with different implicit solvent models.

Yeh IC, Lee MS, Olson MA. Yeh IC, et al. Among authors: lee ms. J Phys Chem B. 2008 Nov 27;112(47):15064-73. doi: 10.1021/jp802469g. J Phys Chem B. 2008. PMID: 18959439

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