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Gregory Sliwoski, Sandeepkumar Kothiwale, Jens Meiler, and Edward W. Lowe, Jr.
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| 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.
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| 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.
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| 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
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| 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
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| 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.
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| 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
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| Assessment and Challenges of Ligand Docking into Comparative Models of G-Protein Coupled Receptors |
| PLOS One |
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Gordon Lemmon, Jens Meiler
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| 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
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| 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
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| 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
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| 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
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| BCL::Fold protein topology determination from limited NMR restraints |
| Proteins |
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Joseph J. Crivelli, Gordon Lemmon, Kristian W. Kaufmann, Jens Meiler
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| 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
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| The Activity of Prolactin Releasing Peptide Correlates with its Helicity |
| Biopolymers |
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Steffen Lindert, Phoebe L. Stewart, Jens Meiler
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| 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
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| 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 W. Lowe Jr, Jens Meiler
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| Reconstruction of SAXS Profiles from Protein Structures |
| Computational and Structural Biotechnology Journal |
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Amanda Duran, Jens Meiler
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| Inverted Topologies in Membrane Proteins: A Mini-Review |
| Computational and Structural Biotechnology Journal |
