Publications of 2016
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Ulrike Krug, Nathan S. Alexander, Richard A. Stein, Antje Keim, Hassane S. Mchaourab, Norbert Strater, and Jens Meiler
Characterization of the Domain Orientations of E. coli 5?-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions
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Bian Li, Jeffrey Mendenhall, Elizabeth Dong Nguyen, Brian E. Weiner, Axel Fischer, and Jens Meiler
Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins
Journal of Chemical Information and Modeling
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Axel Fischer, Sten Heinze, Daniel Putnam, Bian Li, James Pino, Yan Xia, Carlos Lopez, Jens Meiler
CASP11-An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline
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Axel Fischer, Enrica Bordignon, Stephanie Bleicken, Ana Garcia-Saez, Gunnar Jeschke, Jens Meiler
Pushing the size limit of de novo structure ensemble prediction guided by sparse SDSL-EPR restraints to 200 residues: The monomeric and homodimeric forms of BAX
Journal of Structural Biology
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Brian J. Bender, Alberto Cisneros, Amanda M. Duran, Jessica A. Finn, Darwin Fu, Alyssa D. Lokits, Benjamin K. Mueller, Amandeep K. Sangha, Marion F. Sauer, Alexander M. Sevy, Gregory Sliwoski, Jonathan H. Sheehan, Frank DiMaio, Jens Meiler, and Rocco Moretti
Protocols for Molecular Modeling with Rosetta3 and RosettaScripts
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Jeffrey Mendenhall, Jens Meiler
Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout
Journal of Computer-Aided Molecular Design
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Moretti R, Bender BJ, Allison B, Meiler J
Rosetta and the Design of Ligand Binding Sites.
Methods Mol Biol.
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Jarrod J. Mousa, Marion F. Sauer, Alexander M. Sevy, Jessica A. Finn, John T. Bates, Gabriela Alvarado, Hannah G. King, Leah B. Loerinc, Rachel H. Fong, Benjamin J. Doranz, Bruno E. Correia, Oleksandr Kalyuzhniy, Xiaolin Wen, Theodore S. Jardetzky, William R. Schief, Melanie D. Ohi, Jens Meiler, and James E. Crowe Jr.
Structural basis for nonneutralizing antibody competition at antigenic site II of the respiratory syncytial virus fusion protein
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Gajewski S, , Waddell MB, Vaithiyalingam S, Nourse A, Li Z, Woetzel N, Alexander N, Meiler J, White SW
Structure and mechanism of the phage T4 recombination mediator protein UvsY.
Proc Natl Acad Sci U S A
Not available Nels C Gerstner, Christopher S Adams, Maik Tretbar, Jennifer M Schomaker
Stereocontrolled Syntheses of Seven-Membered Carbocycles by Tandem Allene Aziridination/[4+3] Reaction
Angewandte Chemie
Not available Gerstner, N. C., Adams, C. S.; Grigg, R. D.; Tretbar, M.; Rigoli, J. W.; Schomaker, J. M
Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy
Organic Letters
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Maximiliano Figueroa, Mike Sleutel, Marylene Vandevenne, Gregory Parvizi, Sophie Attout, Olivier Jacquin, Julie Vandenameele, Axel Fischer, Christian Damblon, Erik Goormaghtigh, Marie Valerio-Lepiniec, Agathe Urvoas, Dominique Durand, Els Pardon, Jan Steyaert, Philippe Minard, Dominique Maes, Jens Meiler, Andre Matagne, Joseph Martial, Cecile Van de Weerdt
The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools
Journal of Structural Biology
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Nnamani MC, Ganguly S, Erkenbrack EM, Lynch VJ, Mizoue LS, Tong Y, Darling HL, Fuxreiter M, Meiler J, Wagner GP
A Derived Allosteric Switch Underlies the Evolution of Conditional Cooperativity between HOXA11 and FOXO1
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Ali I. Kaya, Alyssa D. Lokits, James A. Gilbert, T. M. Iverson, Jens Meiler, Heidi E. Hamm
A Conserved Hydrophobic Core in Galphai1 Regulates G Protein Activation and Release from Activated Receptor
The Journal of Biological Chemistry
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Gregory Sliwoski, Mario Schubert Jan Stichel David Weaver, Annette G. Beck- Sickinger, Jens Meiler
Discovery of Small-Molecule Modulators of the Human Y4 Receptor
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Brett M. Kroncke, Amanda M. Duran, Jeffrey L. Mendenhall, Jens Meiler, Jeffrey D. Blume, Charles R. Sanders
Documentation of an Imperative To Improve Methods for Predicting Membrane Protein Stability
American Chemical Society
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Kartik Konduri, Jean-Nicolas Gallant, Young Kwang Chae, Francis J. Giles, Barbara J. Gitlitz, Kyle Gowen, Eiki Ichihara, Taofeek K. Owonikoko, Vijay Peddareddigari, Suresh S. Ramalingam, Satyanarayan K. Reddy, Beth Eaby-Sandy, Tiziana Vavalà Andrew Whiteley, Heidi Chen, Yingjun Yan, Jonathan H. Sheehan, Jens Meiler, Deborah Morosini, Jeffrey S. Ross, Philip J. Stephens, Vincent A. Miller, Siraj M. Ali, Christine M. Lovly
EGFR Fusions as Novel Therapeutic Targets in Lung Cancer
Cancer Discovery
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Jessica A. Finn, Julia Koehler Leman, Jordan R. Willis, Alberto Cisneros, III, James E. Crowe, Jr, Jens Meiler
Improving Loop Modeling of the Antibody Complementarity-Determining Region 3 Using Knowledge-Based Restraints
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Alexander R. Geanes, Hykeyung P. Cho, Kellie D. Nance, Kevin M. McGowan, P. Jeffrey Conn, Carrie K. Jones, Jens Meiler, Craig W. Lindsley
Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes
Bioorganic & Medicinical Chemistry Letters
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Jordan R. Willis, Jessica A. Finn, Bryan Briney, Gopal Sapparapu, Vidisha Singh, Hannah King, Celia C. LaBranche, David C. Montefiori, Jens Meiler, James E. Crowe Jr.
Long antibody HCDR3s from HIV-naïve donors presented on a PG9 neutralizing antibody background mediate HIV neutralization
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Daniel R. Swale, Daniel R. Swale, Haruto Kurata, Sujay V. Kharade, Jonathan Sheehan, Rene Raphemot, Karl R. Voigtritter, Eric E. Figueroa, Jens Meiler, Anna L. Blobaum, Craig W. Lindsley, Corey R. Hopkins, Jerod S. Denton
ML418: The First Selective, Sub-Micromolar Pore Blocker of Kir7.1 Potassium Channels
ACS Chemical Neuroscience
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Darryl J. Bornhop, Michael N. Kammer, Amanda Kussrow, Robert A. Flowers II, Jens Meiler
Origin and prediction of free-solution interaction studies performed label-free
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Joerg Schaarschmidt, Marcus B. M. Nagel, Sandra Huth, Holger Jaeschke, Rocco Moretti, Vera Hintze, Martin von Bergen, Stefan Kalkhof, Jens Meiler, Ralf Paschke
Rearrangement of the extracellular domain/extracellular loop 1 interface is critical for thyrotropin receptor activation
J. Biol. Chem.
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Brett M. Kroncke, Wade D. Van Horn, Jarrod Smith, CongBao Kang, Richard C. Welch, Yuanli Song, David P. Nannemann, Keenan C. Taylor, Nicholas J. Sisco, Alfred L. George Jr., Jens Meiler, Carlos G. Vanoye, Charles R. Sanders
Structural basis for KCNE3 modulation of potassium recycling in epithelia
Science Advances
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Sliwoski G, Mendenhall J, Meiler J
Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign.
J Comput Aided Mol Des