Publications of 2013
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Gregory Sliwoski, Sandeepkumar Kothiwale, Jens Meiler, and Edward W. Lowe, Jr.
Computational Methods in Drug Discovery
Pharmacol Rev
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Natalie J. Thornburg, David P. Nannemann, David L. Blum, Jessica A. Belser, Terrence M. Tumpey, Shyam Deshpande, Gloria A. Fritz, Gopal Sapparapu, Jens C. Krause, Jeong Hyun Lee, Andrew B. Ward, David E. Lee, Sheng Li, Katie L. Winarski, Benjamin W. Spiller, Jens Meiler, and James E. Crowe, Jr.
Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses
J Clin Invest
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Thornburg NJ, Nannemann DP, Blum DL, Belser JA, Tumpey TM, Deshpande S, Fritz GA, Sapparapu G, Krause JC, Lee JH, Ward AB, Lee DE, Li S, Winarski KL, Spiller BW, Meiler J, Crowe JE Jr.
Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses
J Clin Invest
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Nathan S. Alexander, Anita M. Preininger, Ali I. Kaya, Richard A. Stein, Heidi E. Hamm, Jens Meiler
Energetic analysis of the rhodopsin G protein complex links the α5 helix to GDP release
Nature Structural & Molecular Biology
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Steven A Combs, Samuel L DeLuca, Stephanie H DeLuca, Gordon H Lemmon, David P Nannemann, Elizabeth D Nguyen, Jordan R Willis, Jonathan H Sheehan, Jens Meiler
Small-molecule ligand docking into comparative models with Rosetta
Nature Protocols
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Butkiewicz M, Lowe EW, Mueller R, Mendenhall JL, Teixeira PL, Weaver CD, Meiler J.
Benchmarking Ligand-Based Virtual High-Throughput Screening with the PubChem Database
Molecules
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Brian E. Weiner, Nils Woetzel, Mert Karakas, Nathan Alexander, Jens Meiler
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BCL::MP-Fold: Folding Membrane Proteins through Assembly of Transmembrane Helices
Structure
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Mark Turlington, Meredith J Noetzel, Aspen Celeste Chun, Ya Zhou, Rocco D Gogliotti, Elizabeth D Nguyen, Karen J Gregory, Paige N Vinson, Jerri M Rook, Kiran K Gogi, Zixiu Xiang, Thomas M Bridges, J Scott Daniels, Carrie K Jones, Colleen M Niswender, Jens Meiler, P Jeffrey Conn, Craig W Lindsley, Shaun R Stauffer
Exploration of Allosteric Agonism Structure-Activity Relationships within an Acetylene Series of Metabotropic Glutamate Receptor 5 (mGlu5) Positive Allosteric Modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide (ML254)
J. Med. Chem.
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Steffen Lindert, Jens Meiler, J. Andrew McCammon
Iterative Molecular Dynamics Rosetta Protein Structure Refinement Protocol to Improve Model Quality
J Chem Theory & Computation
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Tao Yang, Jarrod A. Smith, Brenda F. Leake, Charles R. Sanders, Jens Meiler, and Dan M. Roden
An Allosteric Mechanism for Drug Block of the Human Cardiac Potassium Channel KCNQ1
Mol Pharmacol
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Karen J. Gregory, Elizabeth D. Nguyen, Sean D. Reiff, Emma F. Squire, Shaun R. Stauffer, Craig W. Lindsley, Jens Meiler and P. Jeffrey Conn
Probing the Metabotropic Glutamate Receptor 5 (mGlu5) Positive Allosteric Modulator (PAM) Binding Pocket: Discovery of Point Mutations that Engender a “Molecular Switch” in PAM Pharmacology
Molecular Pharmacology
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Pedragosa-Badia X, Sliwoski GR, Dong Nguyen E, Lindner D, Stichel J, Kaufmann KW, Meiler J, Beck-Sickinger AG
Pancreatic Polypeptide is Recognized by Two Hydrophobic Domains of the Human Y4 Receptor Binding Pocket
J Biol Chem
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Xavier Pedragosa-Badia, Gregory R. Sliwoski, Elizabeth Dong Nguyen, Diana Lindner, Jan Stichel, Kristian W. Kaufmann, Jens Meiler, and Annette G. Beck-Sickinger
Pancreatic Polypeptide Is Recognized by Two Hydrophobic Domains of the Human Y4 Receptor Binding Pocket
Journal of Biological Chemistry
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Maximiliano Figueroa, Nicolas Oliveira, Annabelle Lejeune, Kristian W. Kaufmann, Brent M. Dorr, Andre Matagne, Joseph A. Martial, Jens Meiler, Cecile Van de Weerdt
Octarellin VI: Using Rosetta to Design a Putative Artificial (β/α)8 Protein
PLOS One
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Jordan R. Willis, Bryan S. Briney, Samuel L. DeLuca, James E. Crowe, Jr., Jens Meiler
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Human Germline Antibody Gene Segments Encode Polyspecific Antibodies
PLOS Computational Biology
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Anita M. Preininger, Jens Meiler, Heidi Hamm
Conformational Flexibility and Structural Dynamics in GPCR-Mediated G Protein Activation: A Perspective
J Mol Biol
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Elizabeth Dong Nguyen, Christoffer Norn, Thomas M. Frimurer, Jens Meiler
Assessment and Challenges of Ligand Docking into Comparative Models of G-Protein Coupled Receptors
PLOS One
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Gordon Lemmon, Jens Meiler
Towards Ligand Docking Including Explicit Interface Water Molecules
PLOS One
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Nathan S. Alexander, Richard A. Stein, Hanane A. Koteiche, Kristian W. Kaufmann, Hassane S. Mchaourab, Jens Meiler
RosettaEPR: Rotamer Library for Spin Label Structure and Dynamics
PLOS One
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Brittany Allison, Steven Combs, Sam DeLuca, Gordon Lemmon, Laura Mizoue, Jens Meiler
Computational design of protein-small molecule interfaces
J Stuct Bio
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Julia Koehler Leman, Ralf Mueller, Mert Karakas, Nils Woetzel, Jens Meiler
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Simultaneous prediction of protein secondary structure and transmembrane spans
Proteins
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Fei Li, Yan Xia, Jens Meiler, and Shelagh Ferguson-Miller
Characterization and Modeling of the Oligomeric State and Ligand Binding Behavior of Purified Translocator Protein 18 kDa from Rhodobacter sphaeroides
ACS Biochemistry
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Brian E. Weiner, Nathan Alexander, Louesa R. Akin, Nils Woetzel, Mert Karakas, and Jens Meiler
BCL::Fold protein topology determination from limited NMR restraints
Proteins
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Joseph J. Crivelli, Gordon Lemmon, Kristian W. Kaufmann, Jens Meiler
Simultaneous prediction of binding free energy and specificity for PDZ domain peptide interactions
J Comput Aided Mol Des
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Stephanie Deluca, Daniel Rathmann, Annette Beck-Sickinger, Jens Meiler
The Activity of Prolactin Releasing Peptide Correlates with its Helicity
Biopolymers
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Steffen Lindert, Phoebe L. Stewart, Jens Meiler
Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs
Computational Biology and Chemistry
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Mohammed S. Aiyegbo, Gopal Sapparapu, Benjamin W. Spiller, Ilyas M. Eli, Dewight R. Williams, Robert Kim, David E. Lee, Tong Liu, Sheng Li, Virgil L. Woods Jr, David P. Nannemann, Jens Meiler, Phoebe L. Stewart, James E. Crowe Jr
Human Rotavirus VP6-Specific Antibodies Mediate Intracellular Neutralization by Binding to a Quaternary Structure in the Transcriptional Pore
PLOS One
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Daniel Putnam, Edward Will Lowe Jr, Jens Meiler
Reconstruction of SAXS Profiles from Protein Structures
Computational and Structural Biotechnology Journal
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Amanda Duran, Jens Meiler
Inverted Topologies in Membrane Proteins: A Mini-Review
Computational and Structural Biotechnology Journal