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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.Structure (London, England : 1993)|September 17, 2019
Integrative Protein Modeling in RosettaNMR from Sparse Paramagnetic RestraintsGeorg Kuenze, Richard Bonneau, Julia Koehler Leman, 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.Plos Computational Biology|March 27, 2023
Docking cholesterol to integral membrane proteins with RosettaBrennica Marlow, Georg Kuenze, Jens Meiler, et al.Science Advances|February 12, 2025
Self-supervised machine learning methods for protein design improve sampling but not the identification of high-fitness variantsMoritz Ertelt, Rocco Moretti, Jens Meiler, et al.Pageof 44