Didier Devaurs - Search Results

Year	Number of Results
2009	1
2013	1
2015	2
2016	1
2017	3
2018	4
2019	1
2020	3
2021	2
2022	2
2023	2
2024	0

1

3pHLA-score improves structure-based peptide-HLA binding affinity prediction.

Conev A, Devaurs D, Rigo MM, Antunes DA, Kavraki LE. Conev A, et al. Among authors: devaurs d. Sci Rep. 2022 Jun 24;12(1):10749. doi: 10.1038/s41598-022-14526-x. Sci Rep. 2022. PMID: 35750701 Free PMC article.

2

Structure-based Methods for Binding Mode and Binding Affinity Prediction for Peptide-MHC Complexes.

Antunes DA, Abella JR, Devaurs D, Rigo MM, Kavraki LE. Antunes DA, et al. Among authors: devaurs d. Curr Top Med Chem. 2018;18(26):2239-2255. doi: 10.2174/1568026619666181224101744. Curr Top Med Chem. 2018. PMID: 30582480 Free PMC article. Review.

3

Understanding the challenges of protein flexibility in drug design.

Antunes DA, Devaurs D, Kavraki LE. Antunes DA, et al. Among authors: devaurs d. Expert Opin Drug Discov. 2015 Dec;10(12):1301-13. doi: 10.1517/17460441.2015.1094458. Epub 2015 Sep 28. Expert Opin Drug Discov. 2015. PMID: 26414598 Review.

4

A Robotics-Inspired Screening Algorithm for Molecular Caging Prediction.

Kravchenko O, Varava A, Pokorny FT, Devaurs D, Kavraki LE, Kragic D. Kravchenko O, et al. Among authors: devaurs d. J Chem Inf Model. 2020 Mar 23;60(3):1302-1316. doi: 10.1021/acs.jcim.9b00945. Epub 2020 Mar 13. J Chem Inf Model. 2020. PMID: 32130862 Free PMC article.

5

Computational Modeling of Molecular Structures Guided by Hydrogen-Exchange Data.

Devaurs D, Antunes DA, Borysik AJ. Devaurs D, et al. J Am Soc Mass Spectrom. 2022 Feb 2;33(2):215-237. doi: 10.1021/jasms.1c00328. Epub 2022 Jan 25. J Am Soc Mass Spectrom. 2022. PMID: 35077179 Free article.

6

DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins.

Hall-Swan S, Antunes DA, Devaurs D, Rigo MM, Kavraki LE, Zanatta G. Hall-Swan S, et al. Among authors: devaurs d. bioRxiv [Preprint]. 2021 Jan 22:2021.01.21.427315. doi: 10.1101/2021.01.21.427315. bioRxiv. 2021. PMID: 33501448 Free PMC article. Updated. Preprint.

7

EnGens: a computational framework for generation and analysis of representative protein conformational ensembles.

Conev A, Rigo MM, Devaurs D, Fonseca AF, Kalavadwala H, de Freitas MV, Clementi C, Zanatta G, Antunes DA, Kavraki LE. Conev A, et al. Among authors: devaurs d. Brief Bioinform. 2023 Jul 20;24(4):bbad242. doi: 10.1093/bib/bbad242. Brief Bioinform. 2023. PMID: 37418278 Free PMC article.

8

Computational analysis of complement inhibitor compstatin using molecular dynamics.

Devaurs D, Antunes DA, Kavraki LE. Devaurs D, et al. J Mol Model. 2020 Aug 12;26(9):231. doi: 10.1007/s00894-020-04472-8. J Mol Model. 2020. PMID: 32789582 Free PMC article.

9

DINC-COVID: A webserver for ensemble docking with flexible SARS-CoV-2 proteins.

Hall-Swan S, Devaurs D, Rigo MM, Antunes DA, Kavraki LE, Zanatta G. Hall-Swan S, et al. Among authors: devaurs d. Comput Biol Med. 2021 Dec;139:104943. doi: 10.1016/j.compbiomed.2021.104943. Epub 2021 Oct 15. Comput Biol Med. 2021. PMID: 34717233 Free PMC article.

10

EnGens: a computational framework for generation and analysis of representative protein conformational ensembles.

Conev A, Rigo MM, Devaurs D, Fonseca AF, Kalavadwala H, de Freitas MV, Clementi C, Zanatta G, Antunes DA, Kavraki L. Conev A, et al. Among authors: devaurs d. bioRxiv [Preprint]. 2023 Apr 28:2023.04.24.538094. doi: 10.1101/2023.04.24.538094. bioRxiv. 2023. PMID: 37163076 Free PMC article. Updated. Preprint.

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