Jens Meiler

According to our database, Jens Meiler authored at least 49 papers between 2000 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

Recent Advances in Automated Structure-Based De Novo Drug Design.

Yidan Tang, Rocco Moretti, Jens Meiler

J. Chem. Inf. Model., 2024

2023

Docking cholesterol to integral membrane proteins with Rosetta.

Brennica Marlow, Georg Kuenze, Jens Meiler, Julia Koehler Leman

PLoS Comput. Biol., March, 2023

Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery.

Yunchao Liu, Yu Wang, Oanh Vu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler, Tyler Derr

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.

Marion F. S. Fischer, James E. Crowe Jr., Jens Meiler

PLoS Comput. Biol., December, 2022

Predicting the functional impact of KCNQ1 variants with artificial neural networks.

Saksham Phul, Georg Kuenze, Carlos G. Vanoye, Charles R. Sanders, Alfred L. George Jr., Jens Meiler

PLoS Comput. Biol., 2022

2021

Rosetta design with co-evolutionary information retains protein function.

Samuel Schmitz, Moritz Ertelt, Rainer Merkl, Jens Meiler

PLoS Comput. Biol., 2021

Prediction of amphipathic helix - membrane interactions with Rosetta.

Alican Gulsevin, Jens Meiler

PLoS Comput. Biol., 2021

Computational redesign of a fluorogen activating protein with Rosetta.

Nina G. Bozhanova, Joel M. Harp, Brian Joseph Bender, Alexey S. Gavrikov, Dmitry A. Gorbachev, Mikhail S. Baranov, Christina B. Mercado, Xuan Zhang, Konstantin A. Lukyanov, Alexander S. Mishin, Jens Meiler

PLoS Comput. Biol., 2021

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

Diego del Alamo, Kevin L. Jagessar, Jens Meiler, Hassane S. Mchaourab

PLoS Comput. Biol., 2021

BCL: : Conf: Improved Open-Source Knowledge-Based Conformation Sampling Using the Crystallography Open Database.

Jeffrey L. Mendenhall, Benjamin P. Brown, Sandeepkumar Kothiwale, Jens Meiler

J. Chem. Inf. Model., 2021

General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps.

Benjamin P. Brown, Jeffrey L. Mendenhall, Alexander R. Geanes, Jens Meiler

J. Chem. Inf. Model., 2021

2020

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

Marion F. Sauer, Alexander M. Sevy, James E. Crowe Jr., Jens Meiler

PLoS Comput. Biol., 2020

Better together: Elements of successful scientific software development in a distributed collaborative community.

Julia Koehler Leman, Brian D. Weitzner, P. Douglas Renfrew, Steven M. Lewis, Rocco Moretti, Andrew M. Watkins, Vikram Khipple Mulligan, Sergey Lyskov, Jared Adolf-Bryfogle, Jason W. Labonte, Justyna Krys, RosettaCommons Consortium, Christopher Bystroff, William R. Schief, Dominik Gront, Ora Schueler-Furman, David Baker, Philip Bradley, Roland L. Dunbrack Jr., Tanja Kortemme, Andrew Leaver-Fay, Charlie E. M. Strauss, Jens Meiler, Brian Kuhlman, Jeffrey J. Gray, Richard Bonneau

PLoS Comput. Biol., 2020

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

Brian Joseph Bender, Brennica Marlow, Jens Meiler

PLoS Comput. Biol., 2020

Deep Learning for Virtual Screening: Five Reasons to Use ROC Cost Functions.

Vladimir Golkov, Alexander Becker, Daniel T. Plop, Daniel Cuturilo, Neda Davoudi, Jeffrey L. Mendenhall, Rocco Moretti, Jens Meiler, Daniel Cremers

CoRR, 2020

PyIR: a scalable wrapper for processing billions of immunoglobulin and T cell receptor sequences using IgBLAST.

Cinque S. Soto, Jessica A. Finn, Jordan R. Willis, Samuel B. Day, Robert S. Sinkovits, Taylor Jones, Samuel Schmitz, Jens Meiler, Andre Branchizio, James E. Crowe Jr.

BMC Bioinform., 2020

Foldit Drug Design Game Usability Study: Comparison of Citizen and Expert Scientists.

Yunchao Liu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler

Proceedings of the MIG '20: Motion, 2020

3D Deep Learning for Biological Function Prediction from Physical Fields.

Vladimir Golkov, Marcin J. Skwark, Atanas Mirchev, Georgi Dikov, Alexander R. Geanes, Jeffrey L. Mendenhall, Jens Meiler, Daniel Cremers

Proceedings of the 8th International Conference on 3D Vision, 2020

2019

BCL: : MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping.

Benjamin P. Brown, Jeffrey L. Mendenhall, Jens Meiler

J. Chem. Inf. Model., 2019

BCL: : Mol2D - a robust atom environment descriptor for QSAR modeling and lead optimization.

Oanh Vu, Jeffrey L. Mendenhall, Doaa Altarawy, Jens Meiler

J. Comput. Aided Mol. Des., 2019

Immune repertoire fingerprinting by principal component analysis reveals shared features in subject groups with common exposures.

Alexander M. Sevy, Cinque S. Soto, Robin G. Bombardi, Jens Meiler, James E. Crowe Jr.

BMC Bioinform., 2019

2018

Integrating linear optimization with structural modeling to increase HIV neutralization breadth.

Alexander M. Sevy, Swetasudha Panda, James E. Crowe Jr., Jens Meiler, Yevgeniy Vorobeychik

PLoS Comput. Biol., 2018

Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review.

Darwin Y. Fu, Jens Meiler

J. Chem. Inf. Model., 2018

Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta.

Steven A. Combs, Benjamin K. Mueller, Jens Meiler

J. Chem. Inf. Model., 2018

Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia.

R. Michael Sivley, Jonathan H. Sheehan, Jonathan A. Kropski, Joy D. Cogan, Timothy S. Blackwell, John A. Phillips, William S. Bush, Jens Meiler, John A. Capra

BMC Bioinform., 2018

2017

Consensus queries in ligand-based virtual screening experiments.

Francois Berenger, Oanh Vu, Jens Meiler

J. Cheminformatics, 2017

2016

Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins.

Bian Li, Jeffrey L. Mendenhall, Elizabeth Dong Nguyen, Brian E. Weiner, Axel W. Fischer, Jens Meiler

J. Chem. Inf. Model., 2016

Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign.

Gregory Sliwoski, Jeffrey L. Mendenhall, Jens Meiler

J. Comput. Aided Mol. Des., 2016

Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout.

Jeffrey L. Mendenhall, Jens Meiler

J. Comput. Aided Mol. Des., 2016

Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images.

Vladimir Golkov, Marcin J. Skwark, Antonij Golkov, Alexey Dosovitskiy, Thomas Brox, Jens Meiler, Daniel Cremers

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.

Alexander M. Sevy, Tim M. Jacobs, James E. Crowe Jr., Jens Meiler

PLoS Comput. Biol., 2015

BCL: : Conf: small molecule conformational sampling using a knowledge based rotamer library.

Sandeepkumar Kothiwale, Jeffrey L. Mendenhall, Jens Meiler

J. Cheminformatics, 2015

2013

Human Germline Antibody Gene Segments Encode Polyspecific Antibodies.

Jordan R. Willis, Bryan S. Briney, Samuel L. DeLuca, James E. Crowe Jr., Jens Meiler

PLoS Comput. Biol., 2013

Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactions.

Joseph J. Crivelli, Gordon Lemmon, Kristian Kaufmann, Jens Meiler

J. Comput. Aided Mol. Des., 2013

Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs.

Steffen Lindert, Phoebe L. Stewart, Jens Meiler

Comput. Biol. Chem., 2013

2012

GPU-accelerated machine learning techniques enable QSAR modeling of large HTS data.

Edward W. Lowe, Mariusz Butkiewicz, Nils Woetzel, Jens Meiler

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.

Mariusz Butkiewicz, Edward W. Lowe, Jens Meiler

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.

Edward W. Lowe, Nils Woetzel, Jens Meiler

Proceedings of the IEEE 1st International Conference on Computational Advances in Bio and Medical Sciences, 2011

Poster: GPU-accelerated artificial neural network for QSAR modeling.

Edward W. Lowe, Nils Woetzel, Jens Meiler

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.

Nathan Alexander, Nils Woetzel, Jens Meiler

Proceedings of the IEEE 1st International Conference on Computational Advances in Bio and Medical Sciences, 2011

Comparative analysis of machine learning techniques for the prediction of logP.

Edward W. Lowe, Mariusz Butkiewicz, Matthew Spellings, Albert Omlor, Jens Meiler

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.

Mert Karakas, Nils Woetzel, Jens Meiler

J. Comput. Biol., 2010

2009

A Correspondence Between Solution-State Dynamics of an Individual Protein and the Sequence and Conformational Diversity of its Family.

Gregory D. Friedland, Nils-Alexander Lakomek, Christian Griesinger, Jens Meiler, Tanja Kortemme

PLoS Comput. Biol., 2009

Improved prediction of trans-membrane spans in proteins using an artificial neural network.

Julia Koehler, Ralf Mueller, Jens Meiler

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.

Mariusz Butkiewicz, Ralf Mueller, Danilo Selic, Eric Dawson, Jens Meiler

Proceedings of the 2009 IEEE Symposium on Computational Intelligence in Bioinformatics and Computational Biology, 2009

2008

Small Molecules as Rotamers: Generation and Docking in RosettaLigand.

Kristian Kaufmann, Jens Meiler

Proceedings of the German Conference on Bioinformatics, 2008

2002

Validation of Structural Proposals by Substructure Analysis and 13C NMR Chemical Shift Prediction.

Jens Meiler, Erdogan Sanli, Jochen Junker, Reinhard Meusinger, Thomas Lindel, Martin Will, Walter Maier, Matthias Köck

J. Chem. Inf. Comput. Sci., 2002

2001

Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks.

Jens Meiler, Martin Will

J. Chem. Inf. Comput. Sci., 2001

2000

Fast Determination of 13C NMR Chemical Shifts Using Artificial Neural Networks.

Jens Meiler, Reinhard Meusinger, Martin Will

J. Chem. Inf. Comput. Sci., 2000