Computer Aided Molecular Modelling

Computer-aided molecular modelling (CAMM) has tried to be a extremely valuable tool for rational drug style. Main applications of CAMM return from structure-based drug style (if 3D data of the target molecule is available) and QSAR (Quantitative Structure Activity Relationship). a lot of recently new strategies for the DEnovodesign of ligands are developed, e.g. LUDI, CAVEAT, etc. additionally new CAMM tools area unit currently obtainable that alter structure-based style of combinatorial libraries followed by high-throughput procedure tying up at the target binding website to pick the foremost promising candidate ligands for chemical synthesis. the aim of the mini-symposium was as an example to chemists from each trade and world the present potentialities, limitations, and future developments within the molecular modeling space.

  • Modelling Techniques
  • Computational Chemistry
  • Scientific Software Engineering
  • Molecular Graphics

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