DrOmics Labs

Design Sprint: A Rapid CADD (Computer-aided Drug Deigning) International workshop

About Course

Computer-Aided Drug Designing

  • Introduction to CADD and its importance
  • Introduction to essential databases involved in CADD and primary data collection = PubMed, PubChem, UniProt, KEGG, PDB, DrugBank
  • Structural File Formats = SDF, Mol2, PDB
  • Overview of Types of CADD = Ligand-Based Drug Designing, Structure-based Drug Designing
  • Ligand-Based Drug Designing = Pharmacophore Preparation, Quantitative Structure-Activity Relationship (QSAR)
  • Structure-based drug Designing = Target Identification and Optimization, Compound selection, Preparation of inputs for Molecular Docking, Analysis of Docking Results, Understanding the importance of Molecular Dynamics Simulation

Linux Basics- Hands-on

  • Introduction to Linux = Brief overview of Linux and its significance.
  • Getting Started with Linux = Logging in and basic command-line navigation.
  • File and Directory Operations = Creating, copying, moving, and deleting files and directories.
  • Working with Text Files = Basic text editing and file creation.
  • Managing Users and Groups = User account creation.
  • Process Management = Introduction to processes and process termination.
  • File Permissions and Ownership = Overview of file permissions.
  • Networking Basics = Basic network commands.
  • Conclusion and Further Resources = Summarizing key concepts and recommending further learning resources.
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Course Content

Design sprints: A rapid CADD workshop