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Living on the edge: Simulations of bacterial outer-membrane proteins.
Pavlova A, Hwang H, Lundquist K, Balusek C, Gumbart JC. Pavlova A, et al. Among authors: gumbart jc. Biochim Biophys Acta. 2016 Jul;1858(7 Pt B):1753-9. doi: 10.1016/j.bbamem.2016.01.020. Epub 2016 Jan 28. Biochim Biophys Acta. 2016. PMID: 26826270 Free article. Review.
Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.
Lee CT, Comer J, Herndon C, Leung N, Pavlova A, Swift RV, Tung C, Rowley CN, Amaro RE, Chipot C, Wang Y, Gumbart JC. Lee CT, et al. Among authors: gumbart jc. J Chem Inf Model. 2016 Apr 25;56(4):721-33. doi: 10.1021/acs.jcim.6b00022. Epub 2016 Apr 14. J Chem Inf Model. 2016. PMID: 27043429 Free PMC article.
Accelerating Membrane Simulations with Hydrogen Mass Repartitioning.
Balusek C, Hwang H, Lau CH, Lundquist K, Hazel A, Pavlova A, Lynch DL, Reggio PH, Wang Y, Gumbart JC. Balusek C, et al. Among authors: gumbart jc. J Chem Theory Comput. 2019 Aug 13;15(8):4673-4686. doi: 10.1021/acs.jctc.9b00160. Epub 2019 Jul 2. J Chem Theory Comput. 2019. PMID: 31265271 Free PMC article.
BamA is required for autotransporter secretion.
Ryoo D, Rydmark MO, Pang YT, Lundquist KP, Linke D, Gumbart JC. Ryoo D, et al. Among authors: gumbart jc. Biochim Biophys Acta Gen Subj. 2020 Jul;1864(7):129581. doi: 10.1016/j.bbagen.2020.129581. Epub 2020 Feb 27. Biochim Biophys Acta Gen Subj. 2020. PMID: 32114025 Free PMC article.
Synergistic Biophysical Techniques Reveal Structural Mechanisms of Engineered Cationic Antimicrobial Peptides in Lipid Model Membranes.
Heinrich F, Salyapongse A, Kumagai A, Dupuy FG, Shukla K, Penk A, Huster D, Ernst RK, Pavlova A, Gumbart JC, Deslouches B, Di YP, Tristram-Nagle S. Heinrich F, et al. Among authors: gumbart jc. Chemistry. 2020 May 15;26(28):6247-6256. doi: 10.1002/chem.202000212. Epub 2020 Apr 28. Chemistry. 2020. PMID: 32166806 Free PMC article.
149 results