Lydia E Kavraki (Lydia Kavraki)

Loop profile Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 20

Top Venues

Journal of chemical information and modeling

bioRxiv : the preprint server for biology

BMC molecular and cell biology

Communications chemistry

Rice University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Rice University Jan 01 1997

United States

Noah Harding Professor of Computer Science :: Computer Science

Publications

Romanos Fasoulis, Mauricio M Rigo, Gregory Lizée, Dinler A Antunes, Lydia E Kavraki
APE-Gen2.0: Expanding Rapid Class I Peptide-Major Histocompatibility Complex Modeling to Post-Translational Modifications and Noncanonical Peptide Geometries. Journal of chemical information and modeling (2024)
Romanos Fasoulis, Mauricio M Rigo, Gregory Lizée, Dinler A Antunes, Lydia E Kavraki
APE-Gen2.0: Expanding Rapid Class I Peptide-Major Histocompatibility Complex Modeling to Post-Translational Modifications and Noncanonical Peptide Geometries. Journal of chemical information and modeling 64 (5) (2024)
Romanos Fasoulis, Mauricio M Rigo, Gregory Lizée, Dinler A Antunes, Lydia E Kavraki
APE-Gen2.0: Expanding Rapid Class I Peptide-Major Histocompatibility Complex Modeling to Post-Translational Modifications and Noncanonical Peptide Geometries. Journal of chemical information and modeling 64 (5) (2024)
Romanos Fasoulis, Mauricio M Rigo, Gregory Lizée, Dinler A Antunes, Lydia E Kavraki
APE-Gen2.0: Expanding Rapid Class I Peptide-Major Histocompatibility Complex Modeling to Post-Translational Modifications and Noncanonical Peptide Geometries. Journal of chemical information and modeling 64 (5) (2024)
Romanos Fasoulis, Mauricio M Rigo, Gregory Lizée, Dinler A Antunes, Lydia E Kavraki
APE-Gen2.0: Expanding Rapid Class I Peptide-Major Histocompatibility Complex Modeling to Post-Translational Modifications and Noncanonical Peptide Geometries. Journal of chemical information and modeling 64 (5) (2024)
Romanos Fasoulis, Mauricio M Rigo, Gregory Lizée, Dinler A Antunes, Lydia E Kavraki
APE-Gen2.0: Expanding Rapid Class I Peptide-Major Histocompatibility Complex Modeling to Post-Translational Modifications and Noncanonical Peptide Geometries. Journal of chemical information and modeling 64 (5) (2024)
Anja Conev, Mauricio Menagatti Rigo, Didier Devaurs, André Faustino Fonseca, Hussain Kalavadwala, Martiela Vaz de Freitas, Cecilia Clementi, Geancarlo Zanatta, Dinler Amaral Antunes, Lydia E Kavraki
EnGens: a computational framework for generation and analysis of representative protein conformational ensembles. Briefings in bioinformatics (2023)
Anja Conev, Mauricio Menagatti Rigo, Didier Devaurs, André Faustino Fonseca, Hussain Kalavadwala, Martiela Vaz de Freitas, Cecilia Clementi, Geancarlo Zanatta, Dinler Amaral Antunes, Lydia E Kavraki
EnGens: a computational framework for generation and analysis of representative protein conformational ensembles. bioRxiv : the preprint server for biology (2023)
Anja Conev, Mauricio Menagatti Rigo, Didier Devaurs, André Faustino Fonseca, Hussain Kalavadwala, Martiela Vaz de Freitas, Cecilia Clementi, Geancarlo Zanatta, Dinler Amaral Antunes, Lydia E Kavraki
EnGens: a computational framework for generation and analysis of representative protein conformational ensembles. bioRxiv : the preprint server for biology (2023)
Eleni E Litsa, Vijil Chenthamarakshan, Payel Das, Lydia E Kavraki
An end-to-end deep learning framework for translating mass spectra to de-novo molecules. Communications chemistry 6 (1) (2023)
Anja Conev, Mauricio Menagatti Rigo, Didier Devaurs, André Faustino Fonseca, Hussain Kalavadwala, Martiela Vaz de Freitas, Cecilia Clementi, Geancarlo Zanatta, Dinler Amaral Antunes, Lydia E Kavraki
EnGens: a computational framework for generation and analysis of representative protein conformational ensembles. bioRxiv : the preprint server for biology (2023)
Sarah Hall-Swan, Dinler Amaral Antunes, Didier Devaurs, Mauricio Menagatti Rigo, Lydia E Kavraki, Geancarlo Zanatta
DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins. bioRxiv : the preprint server for biology (2021)
Romanos Fasoulis, Georgios Paliouras, Lydia E Kavraki
Graph representation learning for structural proteomics. Emerging topics in life sciences (2021)
Eleni E Litsa, Payel Das, Lydia E Kavraki
Prediction of drug metabolites using neural machine translation. Chemical science 11 (47) (2020)
Oleksandr Kravchenko, Anastasiia Varava, Florian T Pokorny, Didier Devaurs, Lydia E Kavraki, Danica Kragic
A Robotics-Inspired Screening Algorithm for Molecular Caging Prediction. Journal of chemical information and modeling 60 (3) (2020)
Jayvee R Abella, Dinler Amaral Antunes, Cecilia Clementi, Lydia E Kavraki
APE-Gen: A Fast Method for Generating Ensembles of Bound Peptide-MHC Conformations. Molecules (Basel, Switzerland) 24 (5) (2019)
Didier Devaurs, Dinler A Antunes, Sarah Hall-Swan, Nicole Mitchell, Mark Moll, Gregory Lizée, Lydia E Kavraki
Using parallelized incremental meta-docking can solve the conformational sampling issue when docking large ligands to proteins. BMC molecular and cell biology 20 (1) (2019)
Eugen Hruska, Jayvee R Abella, Feliks Nüske, Lydia E Kavraki, Cecilia Clementi
Quantitative comparison of adaptive sampling methods for protein dynamics. The Journal of chemical physics 149 (24) (2019)
Didier Devaurs, Dinler Amaral Antunes, Lydia E Kavraki
Revealing Unknown Protein Structures Using Computational Conformational Sampling Guided by Experimental Hydrogen-Exchange Data. International journal of molecular sciences 19 (11) (2018)
Eleni E Litsa, Matthew I Peña, Mark Moll, George Giannakopoulos, George N Bennett, Lydia E Kavraki
Machine Learning Guided Atom Mapping of Metabolic Reactions. Journal of chemical information and modeling 59 (3) (2018)

Lydia E Kavraki.css-eqlu8i{font-size:small;padding-left:4px;} (Lydia Kavraki)

Publication Activity (10 Years)

Top Topics

Top Venues

Lydia E Kavraki (Lydia Kavraki)