A5060759028- Scientific Computing and Data Management
- Bioinformatics and Genomic Networks
- Genetics, Bioinformatics, and Biomedical Research
- Protein Structure and Dynamics
- Cell Image Analysis Techniques
- Data Visualization and Analytics
- Tendon Structure and Treatment
- Innovative Microfluidic and Catalytic Techniques Innovation
- Sports injuries and prevention
- Supercapacitor Materials and Fabrication
- Online Learning and Analytics
- Shoulder Injury and Treatment
- Receptor Mechanisms and Signaling
- Advancements in Battery Materials
- Fuel Cells and Related Materials
- 3D Printing in Biomedical Research
- Enzyme Structure and Function
- Click Chemistry and Applications
- Image Processing Techniques and Applications
- Information Systems and Technology Applications
- Nanopore and Nanochannel Transport Studies
- Hybrid Renewable Energy Systems
- Analytical Chemistry and Chromatography
- Electrochemical sensors and biosensors
- Research Data Management Practices
Laboratoire de Biochimie Théorique
2017-2021
Centre National de la Recherche Scientifique
2015-2020
Institut de Biologie Physico-Chimique
2018-2020
Pittsburg State University
2019-2020
Université Paris Sciences et Lettres
2018-2020
Université Paris Cité
2018-2020
Sorbonne Université
2018-2020
Sorbonne Paris Cité
2018-2020
California State University, Long Beach
2018-2020
Délégation Paris 7
2020
Abstract Virtual reality is a powerful tool with the ability to immerse user within completely external environment. This immersion particularly useful when visualizing and analyzing interactions between small organic molecules, molecular inorganic complexes, biomolecular systems such as redox proteins enzymes. A common used in biomedical community analyze Adaptive Poisson‐Boltzmann Solver (APBS) software, which was developed solve equations of continuum electrostatics for large assemblages....
Supercapacitors or electrochemical capacitors are receiving greater interest because of their high-power density, long life, and low maintenance. We have synthesized CuS nanoparticles graphene oxide (CuS–GO) nanocomposites for supercapacitor applications cost excellent properties. The phase purity each material was determined using powder XRD studies. bandgap by UV-visible spectrophotometric Scanning electron microscope transmission images revealed the nano-scale morphology particles. All...
Motivated by the current COVID-19 pandemic, which has spurred a substantial flow of structural data, use molecular-visualization experiences to make these data sets accessible broad audience is described. Using variety technology vectors related cloud, 3D and virtual reality gear, how share curated visualizations biology, modeling and/or bioinformatics for interactive collaborative exploration examined. FAIR discussed as an overarching principle sharing such visualizations. Four initial...
Proteomic and transcriptomic technologies resulted in massive biological datasets, their interpretation requiring sophisticated computational strategies. Efficient intuitive real-time analysis remains challenging. We use proteomic data on 1417 proteins of the green microalga Chlamydomonas reinhardtii to investigate physicochemical parameters governing selectivity three cysteine-based redox post translational modifications (PTM): glutathionylation (SSG), nitrosylation (SNO) disulphide bonds...
The accurate and reproducible detection description of thermodynamic states in computational data is a nontrivial problem, particularly when the number unknown priori for large, flexible chemical systems complexes. To this end, we report novel clustering protocol that combines high-resolution structural representation, brute-force repeat clustering, optimization statistics to reproducibly identify clusters present set (k) simulated ensembles butyrylcholinesterase complex with two previously...
Physical models for biological molecules have been used since the 50s to represent their structures at a macroscopic scale. Nowadays, advanced modular non-rigid (such as Peppytide tangible interface) successfully approximate bonding rotational energies and enable realistic folding of small proteins. Such interfaces are also an interesting way interact with 3D virtual objects but methods make physical converse still lacking. We present markerless tracking method recover molecular structure...
Rational drug design is an approach based on detailed knowledge of molecular interactions and dynamic bio-molecules. This involves designing new digital interactive tools including classical desktop interaction devices as well advanced ones such haptic arms or virtual reality devices. These approaches however struggle to deal with flexibility bio-molecules by simultaneously steering the numerous degrees freedom. We propose a method that follows direct implementing innovative methodology...
Abstract Motivated by the current Covid-19 pandemic that has spurred a substantial flow of structural data we describe how molecular visualization experiences can be used to make these datasets accessible broad audience. Using variety technology vectors related cloud, 3D- and virtual reality gear, examine share curated visualizations biology, modeling and/or bioinformatics for interactive collaborative exploration. We discuss F.A.I.R. as overarching principle sharing such visualizations....