Eliane Briand

PhD student. Biophysical simulation and scientific computing.
Background in biological and pharmaceutical sciences.

E-mail :
Website : eliane.br.iand.fr
Location : Göttingen, Germany

Skills

Computer science

ProgrammingC++5+ years of experience
Python
Modern software engineering practices
Unit testing, CI/CD, Git, Docker ...
HPC / SciComputing   MPI | Thread | Vectorization
Machine learning  Tensorflow
Gitlab   @ElianeBriand
Github   @ElianeBriand

In silico drug design

Molecular dynamics GROMACS
Metadynamics Plumed
Chemoinformatics   RDKit & OpenBabel
Docking

Microbiology

BacteriologyCloning & Heterologous expression
Education

Max Planck Institute for Biophysical Chemistry Currently

PhD student
Department: Theoretical and computational biophysics
Subject: Lambda dynamics for constant pH MD simulation (in Gromacs)

Paris Diderot University 2019 — 2020

Master of bioinformatics & in silico drug design
Magna cum laude

Paris Sud University 2013 — 2019

(French) Pharmacy school
Publications

Articles

Molecules [MDPI][DOI][PubMed]   |   2019, 24, 2747.
Combined Ensemble Docking and Machine Learning in Identification of Therapeutic Agents with Potential Inhibitory Effect on Human CES1
Briand, E.; Thomsen, R.; Linnet, K.; Rasmussen, H.B.; Brunak, S.; Taboureau, O.
Experiences

Master Internship2020

Fragment-based metadynamics for hCES1 ligand screening

Institut for biologisk psykiatri, Roskilde, Denmark
Supervisors: H. B. Rasmussen | O. Taboureau
• Metadynamics MD is used to compute 3D free energy landscape (FEL) for the binding of ligands in the hCES1 active pocket. While computationally very efficient compared to unbiased MD, and yielding high-quality data, medium-to-large scale screening is still out of reach for this technique.

• Instead of using whole molecules, the free energy profile for synthetically/pharmaceutically-relevant fragments are computed. Reconstruction algorithm are developped to generate profile for the molecules of interest from the fragment data library. A proof of concept is developped for methylphenidate (reconstructed from phenyl, piperidine and ethyl acetate), and compared to the whole-molecule FEL.

International Genetically Engineered Machine 2018

IGEM logo
• An international synthetic biology competition : a multidisciplinary team of students designs and builds a project around a genetically engineered organism with novel properties or applications. After a year of work, it is presented at the Boston iGEM competition, and standardized gene constructs/protocols are made available for reuse.
• The 2018 project of Team GO Paris Saclay, MethotrExit, won a gold medal : as a proposed solution for medicine-containing hospital wastewater, a bacterial system was engineered with a degradation pathway for cytotoxic drug methotrexate, and a bimodal population : the long-term stability of the bioreactor was ensured by the use of a "stem" population replenishing the "degrader" population suffering from drug/pathway toxicity.

Misc
LanguageFrench native speaker
Fluent English
orcid.org/0000-0002-5875-6682
I do some web design, mostly with the Angular framework.
Examples: [PlasmidSketcher]  |  [IGEM Paris Saclay 2018]
Hobby : [PCB designs]