Assistance in structural bioinformatics

I have been researching for more than 20 years in structural bioinformatics, computational chemistry, supercomputing, and drug discovery, where I have published in high-impact journals, obtained and licensed patents, and obtained funding as a Principal Investigator for both academic and industrial projects. I can help you with the following problems:

  • How to discover bioactive compounds in various contexts (pharmacological, nutraceutical, agricultural, etc)?
    • High-performance virtual screening techniques
      • Molecular docking
      • Molecular dynamics
      • Pharmacophore modeling
      • QSAR
    • Artificial intelligence techniques
  • How to propose and validate molecular models for biological systems?
    • Advanced analysis of experimental data
    • Iterative construction of coarse and fine grain structural models
  • How to drastically accelerate the execution of complex and costly calculations?
    • Implementation in high-performance computing architectures (GPUs, Supercomputers, etc)
    • Implementation and derivation of calculations to private cloud infrastructure
  • How to allow users with minimal computing knowledge to easily access and utilize complex scientific tools?
    • Through web portals
    • Through user-friendly interfaces

If you are interested in learning more about these services and want to schedule a video call with me to inform you, click here.