Gleb Novikov

I provide specialized services in molecular modeling, scientific visualization and computational structural biology. My core expertise includes docking, molecular dynamics simulations, data analysis, and the design of automated computational pipelines tailored to specific research objectives.

As a postdoctoral researcher, I applied biocomputing to study BCL-2 family proteins. My technical expertise includes optimizing computational infrastructure, developing data analysis and visualization workflows, and integrating molecular dynamics with structural predictions. I have acted as a bridge between molecular biologists, medicinal chemists, and bioinformaticians, facilitating knowledge transfer through technical documentation and clear scientific communication in both English and French.

As a research scientist, I applied high-performance computing to computational drug discovery. I built several in silico models combining protein-ligand docking and molecular dynamics that successfully identified several active molecules against the SARS-CoV-2 main protease. In parallel, I optimized hardware infrastructure and developed automated data analysis and visualization workflows, facilitating collaboration between medicinal chemists and computational scientists. I also communicated complex scientific concepts effectively in both English and French through technical documentation and cross-disciplinary knowledge transfer.

As a research engineer in molecular modeling, I developed original in silico pipelines for computational drug discovery, with a focus on antiviral screening. I designed automated workflows for molecular visualization and structural data analysis, and contributed to the development and integration of reverse docking rescoring methods into computational pipelines. Working at the interface of medicinal chemistry and data science, I translated complex computational results into biomedical insights supporting early-stage drug discovery.

As a research engineer, I applied high-performance biocomputing to computational protein design, with core activities spanning molecular dynamics simulations, free energy calculations, HPC optimization and data visualization. I facilitated cross-disciplinary collaboration and knowledge transfer across computational and experimental teams through technical documentation, scientific reporting, and presentations in both English and French.

- High-performance computing applied to molecular modeling of cardiovascular drugs - Molecular dynamics simulations focusing on biassed signalling of G-protein coupled receptors - Design of computational pipelines combining physical-based modeling and bioinformatics - Optimization and automation of hardware infrastructure for molecular dynamics workloads - Knowledge transfer across cardiovascular biologists, biophysicists and data scientists - Technical writing and oral communication in English and French

- Multi-scale molecular modeling and integrative visualization in drug discovery - Management of GPU workstations for high-performance computing - Preparation of research grant applications

- Development of computational pipelines for multiscale molecular modeling of metalloproteins - Molecular dynamics simulations, cloud computing and 3D visualization on GPU-based HP clusters

- Design of in silico pipelines for GPCR activation studies - Homology modeling, molecular dynamics simulations, and free-energy calculations - Benchmarking of HP clusters for biocomputing, comprising thousands of GPUs - Knowledge transfer across molecular biologists, chemists and bioinformaticians - Technical writing and oral communication in English

Drug discovery and computational protein design combining molecular modeling with 3D visualisation in collaboration with biological researchers.

Investigation of inverse agonism mediated by ligand-activated G-protein coupled receptors by means of computational X-ray crystallography, molecular dynamics simulations and structural bioinformatics.

Participated in intensive research training at the Institute of Protein research focused on molecular biology, protein physics and structural bioinformatics. 🔹Completed 1 year internships, obtaining working experience in wet labs of the Institute of Cell Biophysics and the Institute of Bioorganic Chemistry. 🔹Acquired broad range of expertise in cell biophysics applied for biomedical research of cancer and apoptosis. 🔹Developed technical background in light microscopy, bio-imaging, proteomics, molecular modelling and bioinformatics.