Publications of 2015
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Jean-Nicolas Gallant, Jonathan H. Sheehan, Timothy M. Shaver, Mark Bailey, Doron Lipson, Raghu Chandramohan, Monica Red Brewer, Sally J. York, Mark G. Kris, Jennifer A. Pietenpol, Marc Ladanyi, Vincent A. Miller, Siraj M. Ali, Jens Meiler, and Christine M. Lovly
EGFR Kinase Domain Duplication (EGFR-KDD) Is a Novel Oncogenic Driver in Lung Cancer That Is Clinically Responsive to Afatinib
Cancer Discovery
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Jordan R. Willis, Gopal Sapparapu, Sasha Murrell, Jean-Philippe Julien, Vidisha Singh, Hannah G. King, Yan Xia, Jennifer A. Pickens, Celia C. LaBranche, James C. Slaughter, David C. Montefiori, Ian A. Wilson, Jens Meiler, and James E. Crowe Jr.
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Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth
The Journal of Clinical Investigation
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Anette Kaiser, Paul Muller, Tristan Zellmann, Holger A. Scheidt, Lars Thomas, Mathias Bosse, Rene Meier, Jens Meiler, Daniel Huster, Annette G. Beck-Sickinger, and Peter Schmidt
Unwinding of the C-Terminal Residues of Neuropeptide Y is critical for Y? Receptor Binding and Activation
Angewandte Chemie
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Reza Dastvan, Axel W. Fischer, Smriti Mishra, Jens Meiler, and Hassane S. Mchaourab
Protonation-dependent conformational dynamics of the multidrug transporter EmrE
Proceedings of the National Academy of Sciences Journal (PNAS)
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Venu Gopal Vandavasi, Daniel K. Putnam, Qiu Zhang, Loukas Petridis, William T. Heller, B. Tracy Nixon, Candace H. Haigler, Udaya Kalluri, Leighton Coates, Paul Langan, Jeremy C. Smith, Jens Meiler, and Hugh O'Neill
A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers
Plant Physiology
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Andrej Sali, Helen M. Berman, Torsten Schwede, Jill Trewhella, Gerard Kleywegt, Stephen K. Burley, John Markley, Haruki Nakamura, Paul Adams, Alexandre M.J.J. Bonvin, Wah Chiu, Matteo Dal Peraro, Frank Di Maio, Thomas E. Ferrin, Kay Grunewald, Aleksandras Gutmanas, Richard Henderson, Gerhard Hummer, Kenji Iwasaki, Graham Johnson, Catherine L. Lawson, Jens Meiler, Marc A. Marti-Renom, Gaetano T. Montelione, Michael Nilges, Ruth Nussinov, Ardan Patwardhan, Juri Rappsilber, Randy J. Read, Helen Saibil, Gunnar F. Schroder, Charles D. Schwieters, Claus A.M. Seidel, Dmitri Svergun, Maya Topf, Eldon L. Ulrich, Sameer Velankar, and John D. Westbrook
Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop
Structure
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John P. Donahue, Rebecca T. Levinson, Jonathan H. Sheehan, Lorraine Sutton, Harry E. Taylor, Jens Meiler, Richard T. D'Aquila, and Chisu Song
Genetic Analysis of the Localization of APOBEC3F to Human Immunodeficiency Virus Type 1 Virion Cores
Journal of Virology
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Alexander Sevy, Tim Jacobs, James Crowe, Jens Meiler
Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences
PLOS Computational Biology
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Daniel R. Swale, Jonathan H. Sheehan, Sreedatta Banerjee, Afeef S. Husni, Thuy T. Nguyen, Jens Meiler, and Jerod S. Denton
Computational and Functional Analyses of a Small-Molecule Binding Site in ROMK
Biophysical Journal
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Eric Martin, Stefan Knapp, Richard A. Engh, Henrik Moebitz, Thibault Varin, Benoit Roux, Jens Meiler, Valerio Berdini, Alexander Baumann, Michal Vieth
Perspective on computational and structural aspects of kinase discovery 3 from IPK2014
Biochimica et Biophysica Acta
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Tommy Hofmann, Axel W. Fischer, Jens Meiler, and Stefan Kalkhof
Protein structure prediction guided by crosslinking restraints – A systematic evaluation of the impact of the crosslinking spacer length
Methods
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Gerrit Vortmeier, Stephanie H. DeLuca, Sylvia Els-Heindl, Constance Chollet, Holger A. Scheidt, Annette G. Beck-Sickinger, Jens Meiler, Daniel Huster
Integrating Solid-State NMR and Computational Modeling to Investigate the Structure and Dynamics of Membrane-Associated Ghrelin
PLOSone
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Daniel Putnam, Brian E. Weiner, Nils Woetzel, Edward W. Lowe Jr., Jens Meiler
BCL::SAXS: GPU accelerated Debye method for computation of small angle X-ray scattering profiles
Proteins
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Sten Heinze, Daniel K. Putnam, Axel W. Fischer, Tim Kohlmann, Brian E. Weiner, and Jens Meiler
CASP10-BCL::Fold efficiently samples topologies of large proteins
Proteins
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Samuel DeLuca, Karen Khar and Jens Meiler
Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand
Plos One
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Axel Fischer, Tommy Hofmann, Jens Meiler, Stefan Kalkhof
Protein structure prediction guided by crosslinking restraints – A systematic evaluation of the impact of the crosslinking spacer length
Methods
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Brett Kroncke, Carlos G. Vanoye, Jens Meiler, Alfred L. George, Jr., and Charles R. Sanders
Personalized Biochemistry and Biophysics
Biochemistry
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Gregory Sliwoski, Jeffrey Mendenhall and Jens Meiler
Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign
Journal of Computer-Aided Molecular Design
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Axel Fischer, Nathan Alexander, Nils Woetzel, Mert Karakas , Brian E. Weiner, Jens Meiler
BCL::MP Fold: Membrane protein structure prediction guided by EPR restraints
Proteins
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Eric Martin, Stefan Knapp, Richard A. Engh, Henrik Moebitz, Thibault Varin, Benoit Roux, Jens Meiler, Valerio Berdini, Alexander Baumann, and Michal Vieth
Perspective on computational and structural aspects of kinase discovery from IPK2014
Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics
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Sandeepkumar Kothiwale and Jeffrey Mendenhall, Jens Meiler
BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library
Journal of Cheminformatics