Recent Advances in Spectroscopy and CADD

New mass spectrometry (MS) methods, collectively known as data independent analysis and hyperactive reaction monitoring, have recently emerged. The analysis of peptides generated by proteolytic breakdown of proteins, known as bottom-up proteomics, functions as the basis for many of the protein research undertaken by mass spectrometry (MS) laboratories. Discovery-based or shotgun proteomics hires data-dependent acquisition (DDA). Herein, a hybrid mass spectrometer first performs a survey scan, from which the peptide ions with the intensity above a predefined threshold value, are stochastically selected, isolated and sequenced by product ion scanning.

New challenges and opportunities for those involved in Computer-Aided Drug Design. These challenges require us to move beyond typical application areas and develop new tools and techniques. This conference will focus on many of the new challenges facing drug design, and seek to set new research directions to address these challenges.

And targeted proteomics, selected environmental Monitoring (ERM), also known as multiple reactions monitoring (MRM), is used to monitor a number of selected precursor-fragment changes of the targeted amino acids. The selection of the SRM transitions is normally calculated on the basis of the data acquired previously by product ion scanning, repository data in the community databases or based on a series of empirical rules predicting the Enzyme structure sites.

  • Biomarkers in drug designing
  • Developments & Applications of Mass Spectroscopy
  • Steps Involved in CADD
  • Drug Design Software
  • Computational methods applied to the optimization of binding kinetics
  • The application of computational methods to the design of biologics
  • Data analysis and visualization techniques to support multi-objective optimization

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