Computational Chemistry and Molecular Modelling to fast track Drug Discovery Programs
Anax Laboratories provides computational chemistry and molecular modeling services from hit identification, hit-to-lead transition, lead optimization or standalone support.
Our computational scientists work in coherence with in-house medical chemists in drug discovery design, using advanced computer simulations and modeling techniques to deliver high-various quality hits and optimized leads.
The Computer Aided Drug Discover CADD team has been a vital part in delivering multiple clinical candidate of various therapeutic areas
Capabilities
- Methodical Homology modeling
- Structure based docking and homology modelling
- QM/MM based conformational analysis and comparisons
- Binding and interaction mode analysis
- Implicit binding energy calculation
- Pharmacophore and shape based virtual screening
- Fragment based virtual screening and fragment expansion
- Combinatorial library generation and customized filtration
- Target based focused library listing
- Access to comprehensive commercial computational chemistry software (Schrödinger suite, Gaussian, Spartan 18)
- Multiple GPU workstations with 64-core processors and terminal stations
- Flexible and adaptive alliance models with fast turnaround times
Approaches we adapt in drug designing
- Computer-aided drug design (CADD)
- Fragment-based design (FBDD)
- Structure Based Design (SBDD)
- Analogue Based Design (ABDD)
- Library Designing (LBDD)
- Cheminformatics based Approaches
Know more about our Computational Chemistry capabilities & how we can support your drug discovery projects, Let’s Talk