Publications of 2018
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Darwin Fu, Jens Meiler
RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach
ACS Omega
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Yang Z, Han S, Keller M, Kaiser A, Bender BJ, Bosse M, Burkert K, Kögler LM, Wifling D, Bernhardt G, Plank N, Littmann T, Schmidt P, Yi C, Li B, Ye S, Zhang R, Xu B, Larhammar D, Stevens RC, Huster D, Meiler J, Zhao Q, Beck-Sickinger AG, Buschauer A, Wu B
Structural basis of ligand binding modes at the neuropeptide Y Y1 receptor.
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Manasi P Bhate, Thomas Lemmin, Georg Kuenze, Bruk Mensa, Soumya Ganguly, Jason Peters, Nathan Schmidt, Jeffrey G. Pelton, Carol Gross, Jens Meiler, and William F. DeGrado
Structure and function of the transmembrane domain of NsaS, an antibiotic sensing histidine kinase in S. aureus
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King LB, Fusco ML, Flyak AI, Ilinykh PA, Huang K, Gunn B, Kirchdoerfer RN, Hastie KM, Sangha AK, Meiler J, Alter G, Bukreyev A, Crowe JE Jr, Saphire EO
The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding.
Cell Host Microbe.
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Joedicke L, Mao J, Kuenze G, Reinhart C, Kalavacherla T, Jonker HRA, Richter C, Schwalbe H, Meiler J, Preu J, Michel H, Glaubitz C
The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors.
Nat Chem Biol.
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R. Michael Sivley, Jonathan H. Sheehan, Jonathan A. Kropski, Joy Cogan, Timothy S. Blackwell, John A. Phillips, William S. Bush, Jens Meiler and John A. Capra
Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia
BMC Bioinformatics
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Moretti R, Lyskov S, Das R, Meiler J, Gray JJ
Web-accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE).
Protein Sci.
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Sanchez-Soto M, Casado-Anguera V, Yano H, Bender BJ, Cai NS, Moreno E, Canela EI, Cortes A, Meiler J, Casado V, Ferre S
alpha2A- and alpha2C-Adrenoceptors as Potential Targets for Dopamine and Dopamine Receptor Ligands.
Mol Neurobiol.
Not available Kharade SV, Kurata H, Bender AM, Blobaum AL, Figueroa EE, Duran A, Kramer M, Days E, Vinson P, Flores D, Satlin LM, Meiler J, Weaver CD, Lindsley CW, Hopkins CR, Denton JS
Discovery, Characterization, and Effects on Renal Fluid and Electrolyte Excretion of the Kir4.1 Potassium Channel Pore Blocker, VU0134992.
Mol Pharmacol
Not available Vanoye CG, Desai RR, Fabre KL, Gallagher SL, Potet F, DeKeyser JM, Macaya D, Meiler J, Sanders CR, George AL Jr.
High-Throughput Functional Evaluation of KCNQ1 Decrypts Variants of Unknown Significance.
Circ Genom Precis Med.
Not available Schoeder CT, Hess C, Madea B, Meiler J, Müller CE
Pharmacological evaluation of new constituents of "Spice": synthetic cannabinoids based on indole, indazole, benzimidazole and carbazole scaffolds.
Forensic Toxicol.
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Tretbar, Maik, Witzel, Thomsen; Hauffe, Anika; Junghans, Ulrike; Bulc, Ales; Pufky-Heinrich, Daniela
Feasibilty study on the etherification of fermentative-produced isobutylene to fully renewable ethyl tert-buytl ether (ETBE).
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Sivley RM, Dou X, Meiler J, Bush WS, Capra JA
Comprehensive Analysis of Constraint on the Spatial Distribution of Missense Variants in Human Protein Structures.
Am J Hum Genet
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Duran AM, Meiler J
Computational design of membrane proteins using RosettaMembrane.
Protein Sci
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Tessmer MH, Anderson DM, Pickrum AM, Riegert MO, Moretti R, Meiler J, Feix JB, Frank DW
Identification of a ubiquitin-binding interface using Rosetta and DEER.
Proc Natl Acad Sci U S A
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Schmidt P, Bender BJ, Kaiser A, Gulati K, Scheidt HA, Hamm HE, Meiler J, Beck-Sickinger AG, Huster D.
Improved in Vitro Folding of the Y2 G Protein-Coupled Receptor into Bicelles.
Front Mol Biosci.
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Xia Y, Fischer AW, Teixeira P, Weiner B, Meiler J.
Integrated Structural Biology for ?-Helical Membrane Protein Structure Determination.
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Sevy AM, Panda S, Crowe JE Jr, Meiler J, Vorobeychik Y.
Integrating linear optimization with structural modeling to increase HIV neutralization breadth
PLoS Comput Biol
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Hui Huang, G Kuenze, JA. Smith, KC. Taylor, AM. Duran, A Hadziselimovic, Jens Meiler, Carlos G. Vanoye, Alfred L. George Jr, C R. Sanders
Mechanisms of KCNQ1 channel dysfunction in long QT syndrome involving voltage sensor domain mutations
Science advances
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Fu DY, Meiler J
Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review.
J Chem Inf Model.