Jens Meiler
Orcid: 0000-0001-8945-193X
According to our database1,
Jens Meiler
authored at least 52 papers
between 2000 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins.
PLoS Comput. Biol., 2024
J. Chem. Inf. Model., 2024
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein.
J. Chem. Inf. Model., 2024
CoRR, 2024
2023
PLoS Comput. Biol., March, 2023
Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery.
Proceedings of the Thirty-Seventh AAAI Conference on Artificial Intelligence, 2023
2022
Computational epitope mapping of class I fusion proteins using low complexity supervised learning methods.
PLoS Comput. Biol., December, 2022
PLoS Comput. Biol., 2022
2021
PLoS Comput. Biol., 2021
PLoS Comput. Biol., 2021
PLoS Comput. Biol., 2021
Methodology for rigorous modeling of protein conformational changes by Rosetta using DEER distance restraints.
PLoS Comput. Biol., 2021
BCL: : Conf: Improved Open-Source Knowledge-Based Conformation Sampling Using the Crystallography Open Database.
J. Chem. Inf. Model., 2021
General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps.
J. Chem. Inf. Model., 2021
2020
Multi-state design of flexible proteins predicts sequences optimal for conformational change.
PLoS Comput. Biol., 2020
Better together: Elements of successful scientific software development in a distributed collaborative community.
PLoS Comput. Biol., 2020
Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs.
PLoS Comput. Biol., 2020
CoRR, 2020
PyIR: a scalable wrapper for processing billions of immunoglobulin and T cell receptor sequences using IgBLAST.
BMC Bioinform., 2020
Foldit Drug Design Game Usability Study: Comparison of Citizen and Expert Scientists.
Proceedings of the MIG '20: Motion, 2020
Proceedings of the 8th International Conference on 3D Vision, 2020
2019
BCL: : MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping.
J. Chem. Inf. Model., 2019
BCL: : Mol2D - a robust atom environment descriptor for QSAR modeling and lead optimization.
J. Comput. Aided Mol. Des., 2019
Immune repertoire fingerprinting by principal component analysis reveals shared features in subject groups with common exposures.
BMC Bioinform., 2019
2018
Integrating linear optimization with structural modeling to increase HIV neutralization breadth.
PLoS Comput. Biol., 2018
Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review.
J. Chem. Inf. Model., 2018
Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta.
J. Chem. Inf. Model., 2018
Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia.
BMC Bioinform., 2018
2017
J. Cheminformatics, 2017
2016
J. Chem. Inf. Model., 2016
J. Comput. Aided Mol. Des., 2016
Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout.
J. Comput. Aided Mol. Des., 2016
Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images.
Proceedings of the Advances in Neural Information Processing Systems 29: Annual Conference on Neural Information Processing Systems 2016, 2016
2015
Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences.
PLoS Comput. Biol., 2015
BCL: : Conf: small molecule conformational sampling using a knowledge based rotamer library.
J. Cheminformatics, 2015
2013
PLoS Comput. Biol., 2013
Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactions.
J. Comput. Aided Mol. Des., 2013
Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs.
Comput. Biol. Chem., 2013
2012
Proceedings of the 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2012
Bcl∷ChemInfo - Qualitative analysis of machine learning models for activation of HSD involved in Alzheimer's Disease.
Proceedings of the 2012 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2012
2011
Poster: GPU-accelerated rigid body fitting of atomic structures into electron density maps.
Proceedings of the IEEE 1st International Conference on Computational Advances in Bio and Medical Sciences, 2011
Proceedings of the IEEE 1st International Conference on Computational Advances in Bio and Medical Sciences, 2011
Bcl: : Cluster: A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System.
Proceedings of the IEEE 1st International Conference on Computational Advances in Bio and Medical Sciences, 2011
Proceedings of the 2011 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2011
2010
BCL: : Contact-Low Confidence Fold Recognition Hits Boost Protein Contact Prediction and <i>De Novo</i> Structure Determination.
J. Comput. Biol., 2010
2009
A Correspondence Between Solution-State Dynamics of an Individual Protein and the Sequence and Conformational Diversity of its Family.
PLoS Comput. Biol., 2009
Improved prediction of trans-membrane spans in proteins using an artificial neural network.
Proceedings of the 2009 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2009
Application of machine learning approaches on quantitative structure activity relationships.
Proceedings of the 2009 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2009
2008
Proceedings of the German Conference on Bioinformatics, 2008
2002
Validation of Structural Proposals by Substructure Analysis and 13C NMR Chemical Shift Prediction.
J. Chem. Inf. Comput. Sci., 2002
2001
Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks.
J. Chem. Inf. Comput. Sci., 2001
2000
J. Chem. Inf. Comput. Sci., 2000