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Darunavir
Purohit R, Sethumadhavan R. Structural basis for the resilience of Darunavir (TMC114) resistance major flap mutations of HIV-1 protease. Interdisciplinary Sciences: Computational Life Sciences. 2009;1:320-8.
Docking
Purohit R, Rajendran V, Sethumadhavan R. Relationship between mutation of serine residue at 315th position in M. tuberculosis catalase-peroxidase enzyme and Isoniazid susceptibility: An in silico analysis. Journal of Molecular Modeling. 2011;17:869-77.
Docking simulation
Rajendran V, Purohit R, Sethumadhavan R. In silico investigation of molecular mechanism of laminopathy caused by a point mutation (R482W) in lamin A/C protein. Amino Acids. 2012;43:603-15.