Eliane Briand

Postdoc. (Biophysical) Simulation, Scientific Computing, Method development and implementation.
Background in Biological and Pharmaceutical sciences.

Looking for	PostdocBiophysics, chemistry and simulations
	Engineering positionOpen to anything R&D and interesting
When	6-12 months from now
Where	Western Europe or remote

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

Skills

Computer science

Programming	C++8+ years of experience
	Python
	Modern software engineering practices Unit testing, CI/CD, Git, Docker ...
Scientific Computing	HPC
Open source	Contributor to GROMACS
Gitlab	@ElianeBriand

Molecular dynamics	GROMACS
	Using and extending with new methodologies

Chemoinformatics	RDKit & OpenBabel
	Docking

Employment

Department: Theoretical and computational biophysics ^[link]

Topic: Expanding lambda dynamics in GROMACS, refining constant pH methodologies

Department: Theoretical and computational biophysics ^[link]

Topic: Lambda dynamics for constant pH MD simulation (in Gromacs)

Publications

ORCID

| Google Scholar | Semantic Scholar

Constant pH Simulation with FMM Electrostatics in GROMACS. (A) Design and Applications

Briand, E.; Kohnke B.; Kutzner C.; Grubmüller H.

2024 | JCTC | [DOI]
See also: (B) GPU Accelerated Hamiltonian Interpolation [DOI]

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.

2019 | Molecules | [DOI][PubMed]

Education

Master of bioinformatics & in silico drug design

(French) Pharmacy school

Misc

Language	French native speaker
	Fluent English

I do some web design, mostly with the Angular framework.
Examples: [PlasmidSketcher] | [Chemoinfo Snippets]