Prediction of amphipathic helix-membrane interactions with Rosetta.

by Alican Gulsevin, Jens Meiler
Published 2021-03-01

Assessing multiple score functions in Rosetta for drug discovery.

by Shannon T Smith, Jens Meiler
Published 2020-01-01

An Investigation of Three-Finger Toxin—nAChR Interactions through Rosetta Protein Docking

by Alican Gulsevin, Jens Meiler
Published 2020-09-01

Towards ligand docking including explicit interface water molecules.

by Gordon Lemmon, Jens Meiler
Published 2013-01-01

RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach

by Darwin Yu Fu, Jens Meiler
Published 2018-04-01

INVERTED TOPOLOGIES IN MEMBRANE PROTEINS: A MINI-REVIEW

by Amanda M Duran, Jens Meiler
Published 2013-08-01

Using RosettaLigand for small molecule docking into comparative models.

by Kristian W Kaufmann, Jens Meiler
Published 2012-01-01

Structures Illuminate Cardiac Ion Channel Functions in Health and in Long QT Syndrome

by Kathryn R. Brewer, Kathryn R. Brewer, Georg Kuenze, Georg Kuenze, Carlos G. Vanoye, Alfred L. George, Jens Meiler, Jens Meiler, Jens Meiler, Jens Meiler, Charles R. Sanders, Charles R. Sanders
Published 2020-05-01

Interfaces Between Alpha-helical Integral Membrane Proteins: Characterization, Prediction, and Docking

by Bian Li, Jeffrey Mendenhall, Jens Meiler
Published 2019-01-01

Consensus queries in ligand-based virtual screening experiments

by Francois Berenger, Oanh Vu, Jens Meiler
Published 2017-11-01

Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand.

by Samuel DeLuca, Karen Khar, Jens Meiler
Published 2015-01-01

Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs.

by Brian Joseph Bender, Brennica Marlow, Jens Meiler
Published 2020-10-01

Quantitative Structure–Activity Relationship Modeling of Kinase Selectivity Profiles

by Sandeepkumar Kothiwale, Corina Borza, Ambra Pozzi, Jens Meiler
Published 2017-09-01

Rosetta design with co-evolutionary information retains protein function.

by Samuel Schmitz, Moritz Ertelt, Rainer Merkl, Jens Meiler
Published 2021-01-01

BCL::EMAS — Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR

by Mariusz Butkiewicz, Jens Meiler, Edward W. Lowe, Gregory Sliwoski
Published 2012-08-01

RECONSTRUCTION OF SAXS PROFILES FROM PROTEIN STRUCTURES

by Daniel K. Putnam, Edward W. Lowe Jr., Jens Meiler
Published 2013-08-01

Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints.

by Diego Del Alamo, Kevin L Jagessar, Jens Meiler, Hassane S Mchaourab
Published 2021-06-01

Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors.

by Elizabeth Dong Nguyen, Christoffer Norn, Thomas M Frimurer, Jens Meiler
Published 2013-01-01

Multi-state design of flexible proteins predicts sequences optimal for conformational change.

by Marion F Sauer, Alexander M Sevy, James E Crowe, Jens Meiler
Published 2020-02-01

Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences.

by Alexander M Sevy, Tim M Jacobs, James E Crowe, Jens Meiler
Published 2015-07-01