Patra SM - Search Results

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Binding of organic cations to gramicidin A channel studied with AutoDock and molecular dynamics simulations.

Patra SM, Baştug T, Kuyucak S. Patra SM, et al. J Phys Chem B. 2007 Sep 27;111(38):11303-11. doi: 10.1021/jp074228l. Epub 2007 Sep 5. J Phys Chem B. 2007. PMID: 17784747

Role of protein flexibility in ion permeation: a case study in gramicidin A.

Baştuğ T, Gray-Weale A, Patra SM, Kuyucak S. Baştuğ T, et al. Among authors: patra sm. Biophys J. 2006 Apr 1;90(7):2285-96. doi: 10.1529/biophysj.105.073205. Epub 2006 Jan 13. Biophys J. 2006. PMID: 16415054 Free PMC article.

Molecular dynamics simulations of gramicidin A in a lipid bilayer: from structure-function relations to force fields.

Baştuğ T, Patra SM, Kuyucak S. Baştuğ T, et al. Among authors: patra sm. Chem Phys Lipids. 2006 Jun;141(1-2):197-204. doi: 10.1016/j.chemphyslip.2006.02.012. Epub 2006 Mar 20. Chem Phys Lipids. 2006. PMID: 16600199

Potential of mean force calculations of ligand binding to ion channels from Jarzynski's equality and umbrella sampling.

Baştuğ T, Chen PC, Patra SM, Kuyucak S. Baştuğ T, et al. Among authors: patra sm. J Chem Phys. 2008 Apr 21;128(15):155104. doi: 10.1063/1.2904461. J Chem Phys. 2008. PMID: 18433285

Differential dynamics of the serotonin1A receptor in membrane bilayers of varying cholesterol content revealed by all atom molecular dynamics simulation.

Patra SM, Chakraborty S, Shahane G, Prasanna X, Sengupta D, Maiti PK, Chattopadhyay A. Patra SM, et al. Mol Membr Biol. 2015;32(4):127-37. doi: 10.3109/09687688.2015.1096971. Mol Membr Biol. 2015. PMID: 26508556 Free article.

Backbone cluster identification in proteins by a graph theoretical method.

Patra SM, Vishveshwara S. Patra SM, et al. Biophys Chem. 2000 Feb 14;84(1):13-25. doi: 10.1016/s0301-4622(99)00134-9. Biophys Chem. 2000. PMID: 10723541

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