A typical drug design approach for AIDS in HIV genomics using various MD methods

In our work, we are working with HIV genomes and AIDS proteins. In our method, we are performing sequence alignment using Needle man wunch algorithm of development and application the approach to calculate free energy and entropy by using the non-physical, chemical path through a thermodynamic series while the drug will interact with the protein. Here we are working on the principle-based on protein-protein, protein-peptide, protein-ligand, virtual screening and compulsory free energy estimation for HIV genomics and AIDS proteins. For sequence comparison, we are using the Needleman Wunsch algorithm. Proposed In our proposed work, we have taken the decision parameter is as binding energy to check the efficiency of the drug.

Target specific proteochemometric model development for BACE1 – protein flexibility and structural water are critical in virtual screening

Structural water and protein plasticity are important factors for BACE1 targeted ligand virtual screening.