Publications of 2012
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Gordon Lemmon, Jens Meiler
Rosetta Ligand Docking with Flexible XML Protocols
Methods in Molecular Biology
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Miyeon Kima, Sergey A. Vishnivetskiy, Ned Van Eps, Nathan S. Alexander, Whitney M. Cleghorn, Xuanzhi Zhan, Susan M. Hanson, Takefumi Morizumi, Oliver P. Ernst, Jens Meiler, Vsevolod V. Gurevichc, and Wayne L. Hubbella
Conformation of receptor-bound visual arrestin
PNAS
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Simone Eisenbeis, William Proffitt, Murray Coles, Vincent Truffault, Sooruban Shanmugaratnam, Jens Meiler, Birte Hoecker
Potential of fragment recombination for rational design of proteins
J. Am. Chem. Soc.
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Steffen Lindert, Nathan Alexander, Nils Woetzel, Mert Karakas, Phoebe L. Stewart, Jens Meiler
EM-Fold: De Novo Atomic-Detail Protein Structure Determination from Medium-Resolution Density Maps
Structure
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Daniel Rathmann, Diana Lindner, Stephanie H. DeLuca, Kristian W. Kaufmann, Jens Meiler and Annette G. Beck-Sickinger
Ligand mimicking receptor variant discloses binding and activation mode of prolactin releasing peptide
J Biochemistry
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Findeisen Maria, Wuerker Caecilia, Daniel Rathmann, Meier Rene, Jens Meiler, Roger Olsson, Annette G. Beck-Sickinger
Selective mode of action of guanidine containing non peptides at human NPFF receptors
J Med Chem
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Yang R, Shi J, Byeon IJ, Ahn J, Sheehan JH, Meiler J, Gronenborn AM, Aiken C
Second-site suppressors of HIV-1 capsid mutations: restoration of intracellular activities without correction of intrinsic capsid stability defects
Retrovirology
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Philipp Schmidt, Lars Ritscher, Elizabeth N. Dong, Thomas Hermsdorf, Maxi Cöster, Doreen Wittkopf, Jens Meiler and Torsten Schoeneberg
Identification of Determinants Required for Agonistic and Inverse Agonistic Ligand Properties at the ADP Receptor P2Y12
Mol Pharmacol
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Nils Woetzel, Mert KarakaS, Rene Staritzbichler, Ralf Mueller, Brian E. Weiner, Jens Meiler
BCL::Score-Knowledge Based Energy Potentials for Ranking Protein Models Represented by Idealized Secondary Structure Elements
PLOS One
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Mert Karakas, Nils Woetzel, Rene Staritzbichler, Nathan Alexander, Brian E. Weiner, Jens Meiler
BCL::Fold - De Novo Prediction of Complex and Large Protein Topologies by Assembly of Secondary Structure Elements
PLOS One
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Kristian W. Kaufmann, Jens Meiler
Using RosettaLigand for Small Molecule Docking into Comparative Models
PLOS One
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Ralf Mueller, Eric S. Dawson, Jens Meiler, Alice L. Rodriguez, Brian A. Chauder, Brittney S. Bates, Andrew S. Felts, Jeffrey P. Lamb, Usha N. Menon, Sataywan B. Jadhav, Alexander S. Kane, Carrie K. Jones, Karen J. Gregory, Colleen M. Niswender, P. Jeffrey Conn, Christopher M. Olsen, Danny G. Winder, Kyle A. Emmitte, Craig W. Lindsley
Discovery of 2-(2-Benzoxazoyl amino)-4 Aryl-5-Cyanopyrimidine as Negative Allosteric Modulators (NAMs) of Metabotropic Glutamate Receptor 5 (mGlu5): From an Artificial Neural Network Virtual Screen to an In Vivo Tool Compound
ChemMedChem
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Mariusz Butkiewicz, Edward W. Lowe, Jr. and Jens Meiler
Bcl::ChemInfo - Qualitative Analysis Of Machine Learning Models For Activation Of HSD Involved In Alzheimer’s Disease
Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), IEEE Symposium
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Gordon Lemmon, Kristian Kaufmann, Jens Meiler
Prediction of HIV-1 Protease/Inhibitor Affinity using RosettaLigand
Chemical Biology & Drug Design
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Greg Sliwoski, Edward W. Lowe, Jr., Mariusz Butkiewicz, Jens Meiler
BCL::EMAS Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR
Molecules
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Ralf Mueller, Eric S. Dawson, Colleen M. Niswender, Mariusz Butkiewicz, Corey R. Hopkins, C. David Weaver, Craig W. Lindsley, P. Jeffrey Conn, Jens Meiler
Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators
J Mol Model
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Steffen Lindert, Tommy Hofman, Nils Woetzel, Mert Karakas, Phoebe L. Stewart, Jens Meiler
Ab initio protein modeling into cryoEM density maps using EM-Fold
Biopolymers
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Edward W. Lowe, Jr., Mariusz Butkiewicz, Zollie White III, Matthew Spellings, Albert Omlor, Jens Meiler
Comparative Analysis of Machine Learning Techniques for the Prediction of the DMPK Parameters Intrinsic Clearance and Plasma Protein Binding
Proceedings of 4th International Conference on Bioinformatics and Computational Biology 2012
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Mariusz Butkiewicz, Edward W. Lowe, Jr., Jens Meiler
Bcl::ChemInfo - Qualitative Analysis Of Machine Learning Models For Activation Of HSD Involved In Alzheimer’s Disease
Proceedings of 2012 IEEE Symposium on Computational Intelligence and Computational Biology
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Edward W. Lowe, Jr., Mariusz Butkiewicz, Nils Woetzel, Jens Meiler
GPU-Accelerated Machine Learning Techniques Enable QSAR Modeling Of Large HTS Data
Proceedings of 2012 IEEE Symposium on Computational Intelligence and Computational Biology
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Edward W. Lowe, Mariusz Butkiewicz, Zollie White III, Matthew Spellings, Albert Omlor, and Jens Meiler
Comparative Analysis of Machine Learning Techniques for the Prediction of the DMPK Parameters Intrinsic Clearance and Plasma Protein Binding
Proceedings of 4th International Conference on Bioinformatics and Computational Biology