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Michael Klein

Email
Center AffiliationsMolecular Therapeutics

Publications (61) (print view)

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Chen M, Ko HY, Remsing RC, Calegari Andrade MF, Santra B, Sun Z, Selloni A, Car R, Klein ML, Perdew JP, Wu X. Ab initio theory and modeling of water. Proc Natl Acad Sci U S A. 2017 Oct 10;114(41):10846-51.   PMCID: PMC5642722
Xiao Q, Sherman SE, Wilner SE, Zhou X, Dazen C, Baumgart T, Reed EH, Hammer DA, Shinoda W, Klein ML, Percec V. Janus dendrimersomes coassembled from fluorinated, hydrogenated, and hybrid Janus dendrimers as models for cell fusion and fission. Proc Natl Acad Sci U S A. 2017 Aug 22;114(34):E7045-e7053.   PMCID: PMC5576825
Xu B, Chakraborty H, Yadav VK, Zhang Z, Klein ML, Ren S. Tunable two-dimensional interfacial coupling in molecular heterostructures. Nat Commun. 2017 Aug 22;8(1):312.   PMCID: PMC5567094
Yadav VK, Klein ML. Probing the dynamics of N-methylacetamide in methanol via ab initio molecular dynamics. Physical chemistry chemical physics : PCCP. 2017 May 24;19(20):12868-75.
Elokely K, Velisetty P, Delemotte L, Palovcak E, Klein ML, Rohacs T, Carnevale V. Understanding TRPV1 activation by ligands: Insights from the binding modes of capsaicin and resiniferatoxin. Proc Natl Acad Sci U S A. 2016 Jan 12;113(2):E137-45.   PMCID: PMC4720335
Dong H, Li W, Sun J, Li S, Klein ML. Understanding the Boron-Nitrogen Interaction and Its Possible Implications in Drug Design. J Phys Chem B. 2015 Nov 12;119(45):14393-401.
Gianti E, Carnevale V, DeGrado WF, Klein ML, Fiorin G. Hydrogen-bonded water molecules in the M2 channel of the influenza A virus guide the binding preferences of ammonium-based inhibitors. J Phys Chem B. 2015 Jan 22;119(3):1173-83.   PMCID: PMC4386636
Gosselin-Badaroudine P, Moreau A, Delemotte L, Cens T, Collet C, Rousset M, Charnet P, Klein ML, Chahine M. Characterization of the honeybee AmNaV1 channel and tools to assess the toxicity of insecticides. Sci Rep. 2015 Jul 23;5:12475.   PMCID: 4894402
Kawamoto S, Klein ML, Shinoda W. Coarse-grained molecular dynamics study of membrane fusion: Curvature effects on free energy barriers along the stalk mechanism. J Chem Phys. 2015 Dec 28;143(24):243112.
MacDermaid CM, Kashyap HK, DeVane RH, Shinoda W, Klauda JB, Klein ML, Fiorin G. Molecular dynamics simulations of cholesterol-rich membranes using a coarse-grained force field for cyclic alkanes. J Chem Phys. 2015 Dec 28;143(24):243144.
Moreau A, Gosselin-Badaroudine P, Delemotte L, Klein ML, Chahine M. Gating pore currents are defects in common with two Nav1.5 mutations in patients with mixed arrhythmias and dilated cardiomyopathy. J Gen Physiol. 2015 Feb;145(2):93-106.   PMCID: PMC4306709
Moreau A, Gosselin-Badaroudine P, Delemotte L, Klein ML, Chahine M. Gating pore currents are defects in common with two Nav1.5 mutations in patients with mixed arrhythmias and dilated cardiomyopathy. The Journal of general physiology. 2015 Feb;145(2):93-106.
Palovcak E, Delemotte L, Klein ML, Carnevale V. Comparative sequence analysis suggests a conserved gating mechanism for TRP channels. J Gen Physiol. 2015 Jul;146(1):37-50.   PMCID: 4485022
Paudyal S, Alfonso-Prieto M, Carnevale V, Redhu SK, Klein ML, Nicholson AW. Combined computational and experimental analysis of a complex of ribonuclease III and the regulatory macrodomain protein, YmdB. Proteins. 2015 Mar;83(3):459-72.   PMCID: PMC4329070
Remsing RC, McKendry IG, Strongin DR, Klein ML, Zdilla MJ. Frustrated Solvation Structures Can Enhance Electron Transfer Rates. The journal of physical chemistry letters. 2015 Dec 03;6(23):4804-8.
Tanaka N, Dutrow EV, Miyadera K, Delemotte L, MacDermaid CM, Reinstein SL, Crumley WR, Dixon CJ, Casal ML, Klein ML, Aguirre GD, Tanaka JC, Guziewicz KE. Canine CNGA3 Gene Mutations Provide Novel Insights into Human Achromatopsia-Associated Channelopathies and Treatment. PLoS One. 2015 Jan;10(9):e0138943.   PMCID: 4583268
Tarawneh A, Leon F, Pettaway S, Elokely KM, Klein ML, Lambert J, Mansoor A, Cutler SJ. Flavonoids from Perovskia atriplicifolia and Their in Vitro Displacement of the Respective Radioligands for Human Opioid and Cannabinoid Receptors. J Nat Prod. 2015 Jun 26;78(6):1461-5.
Thomaston JL, Alfonso-Prieto M, Woldeyes RA, Fraser JS, Klein ML, Fiorin G, DeGrado WF. High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction. Proc Natl Acad Sci U S A. 2015 Nov 17;112(46):14260-5.   PMCID: PMC4655559
Zhang S, Moussodia RO, Vertesy S, Andre S, Klein ML, Gabius HJ, Percec V. Unraveling functional significance of natural variations of a human galectin by glycodendrimersomes with programmable glycan surface. Proc Natl Acad Sci U S A. 2015 May 05;112(18):5585-90.   PMCID: PMC4426414
Zhang S, Xiao Q, Sherman SE, Muncan A, Ramos Vicente AD, Wang Z, Hammer DA, Williams D, Chen Y, Pochan DJ, Vertesy S, Andre S, Klein ML, Gabius HJ, Percec V. Glycodendrimersomes from Sequence-Defined Janus Glycodendrimers Reveal High Activity and Sensor Capacity for the Agglutination by Natural Variants of Human Lectins. J Am Chem Soc. 2015 Oct 21;137(41):13334-44.
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Last updated on Thursday, November 02, 2017