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Journal of Chemical Information and Modeling|August 11, 2025
FakeRotLib: Expedient Noncanonical Amino Acid Parametrization in RosettaEric W Bell, Benjamin P Brown, Jens MeilerFrontiers in Molecular Neuroscience|January 22, 2024
Targeting ion channels with ultra-large library screening for hit discoveryKortney Melancon, Palina Pliushcheuskaya, Jens Meiler, et al.Journal of Chemical Information and Modeling|July 13, 2026
Deep Learning Models Capture Umbrella Sampling-Derived Energetic Trends: A Troponin C Case StudyAkshaya Narayanasamy, Rocco Moretti, Jens Meiler, et al.Journal of Computer-Aided Molecular Design|April 8, 2019
BCL::Mol2D-a robust atom environment descriptor for QSAR modeling and lead optimizationOanh Vu, Jeffrey Mendenhall, Doaa Altarawy, et al.Plos Computational Biology|January 19, 2021
Rosetta design with co-evolutionary information retains protein functionSamuel Schmitz, Moritz Ertelt, Rainer Merkl, et al.Computational and Structural Biotechnology Journal|April 2, 2014
Reconstruction of SAXS Profiles from Protein StructuresDaniel K Putnam, Edward W Lowe, Jens MeilerJournal of Chemical Information and Modeling|January 13, 2025
Interpretable Deep-Learning pKa Prediction for Small Molecule Drugs via Atomic Sensitivity AnalysisJoseph DeCorte, Benjamin Brown, Rathmell Jeffrey, et al.Journal of Structural Biology|May 14, 2011
BCL::EM-Fit: rigid body fitting of atomic structures into density maps using geometric hashing and real space refinementNils Woetzel, Steffen Lindert, Phoebe L Stewart, et al.Journal of Proteome Research|July 8, 2021
A Multitask Deep-Learning Method for Predicting Membrane Associations and Secondary Structures of ProteinsBian Li, Jeffrey Mendenhall, John A Capra, et al.Molecules (Basel, Switzerland)|August 22, 2012
BCL::EMAS--enantioselective molecular asymmetry descriptor for 3D-QSARGregory Sliwoski, Edward W Lowe, Mariusz Butkiewicz, et al.Pageof 44