Pastor RW - Search Results

1

A coarse-grained model for polyethylene oxide and polyethylene glycol: conformation and hydrodynamics.

Lee H, de Vries AH, Marrink SJ, Pastor RW. Lee H, et al. Among authors: pastor rw. J Phys Chem B. 2009 Oct 8;113(40):13186-94. doi: 10.1021/jp9058966. J Phys Chem B. 2009. PMID: 19754083 Free PMC article.

2

Simulation-based methods for interpreting x-ray data from lipid bilayers.

Klauda JB, Kucerka N, Brooks BR, Pastor RW, Nagle JF. Klauda JB, et al. Among authors: pastor rw. Biophys J. 2006 Apr 15;90(8):2796-807. doi: 10.1529/biophysj.105.075697. Epub 2006 Jan 27. Biophys J. 2006. PMID: 16443652 Free PMC article.

3

An ab initio study on the torsional surface of alkanes and its effect on molecular simulations of alkanes and a DPPC bilayer.

Klauda JB, Brooks BR, MacKerell AD Jr, Venable RM, Pastor RW. Klauda JB, et al. Among authors: pastor rw. J Phys Chem B. 2005 Mar 24;109(11):5300-11. doi: 10.1021/jp0468096. J Phys Chem B. 2005. PMID: 16863197

4

Long-range Lennard-Jones and electrostatic interactions in interfaces: application of the isotropic periodic sum method.

Klauda JB, Wu X, Pastor RW, Brooks BR. Klauda JB, et al. Among authors: pastor rw. J Phys Chem B. 2007 May 3;111(17):4393-400. doi: 10.1021/jp068767m. Epub 2007 Apr 11. J Phys Chem B. 2007. PMID: 17425357 Free PMC article.

5

Collective and noncollective models of NMR relaxation in lipid vesicles and multilayers.

Klauda JB, Eldho NV, Gawrisch K, Brooks BR, Pastor RW. Klauda JB, et al. Among authors: pastor rw. J Phys Chem B. 2008 May 15;112(19):5924-9. doi: 10.1021/jp075641w. Epub 2008 Jan 8. J Phys Chem B. 2008. PMID: 18179193

6

Rotation of lipids in membranes: molecular dynamics simulation, 31P spin-lattice relaxation, and rigid-body dynamics.

Klauda JB, Roberts MF, Redfield AG, Brooks BR, Pastor RW. Klauda JB, et al. Among authors: pastor rw. Biophys J. 2008 Apr 15;94(8):3074-83. doi: 10.1529/biophysj.107.121806. Epub 2008 Jan 11. Biophys J. 2008. PMID: 18192349 Free PMC article.

7

Langevin network model of myosin.

Miller BT, Zheng W, Venable RM, Pastor RW, Brooks BR. Miller BT, et al. Among authors: pastor rw. J Phys Chem B. 2008 May 15;112(19):6274-81. doi: 10.1021/jp077042v. Epub 2008 Mar 1. J Phys Chem B. 2008. PMID: 18311963

8

Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy.

Lee H, Venable RM, Mackerell AD Jr, Pastor RW. Lee H, et al. Among authors: pastor rw. Biophys J. 2008 Aug;95(4):1590-9. doi: 10.1529/biophysj.108.133025. Epub 2008 May 2. Biophys J. 2008. PMID: 18456821 Free PMC article.

9

Comparison of the extended isotropic periodic sum and particle mesh Ewald methods for simulations of lipid bilayers and monolayers.

Venable RM, Chen LE, Pastor RW. Venable RM, et al. Among authors: pastor rw. J Phys Chem B. 2009 Apr 30;113(17):5855-62. doi: 10.1021/jp900843x. J Phys Chem B. 2009. PMID: 19351117 Free PMC article.

10

CHARMM: the biomolecular simulation program.

Brooks BR, Brooks CL 3rd, Mackerell AD Jr, Nilsson L, Petrella RJ, Roux B, Won Y, Archontis G, Bartels C, Boresch S, Caflisch A, Caves L, Cui Q, Dinner AR, Feig M, Fischer S, Gao J, Hodoscek M, Im W, Kuczera K, Lazaridis T, Ma J, Ovchinnikov V, Paci E, Pastor RW, Post CB, Pu JZ, Schaefer M, Tidor B, Venable RM, Woodcock HL, Wu X, Yang W, York DM, Karplus M. Brooks BR, et al. Among authors: pastor rw. J Comput Chem. 2009 Jul 30;30(10):1545-614. doi: 10.1002/jcc.21287. J Comput Chem. 2009. PMID: 19444816 Free PMC article. Review.

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