- Kinetic characterization of the critical step in HIV-1 protease maturationS Kashif Sadiq
Computational Biophysics Laboratory, GRIB IMIM, Universitat Pompeu Fabra, 08003 Barcelona, Spain
Proc Natl Acad Sci U S A 109:20449-54. 2012..The shown mechanism also provides an interesting example of molecular conformational transitions along the association pathway...
- Explicit solvent dynamics and energetics of HIV-1 protease flap opening and closingS Kashif Sadiq
Computational Biochemistry and Biophysics Lab, GRIB, IMIM UPF, Barcelona Biomedical Research Park, 88 P C 08003 Barcelona, Spain
Proteins 78:2873-85. 2010..Strategies that take into account multiple flap-gating mechanisms may lead to more effective inhibitors...
- Reaction kinetics of catalyzed competitive heteropolymer cleavageS Kashif Sadiq
Computational Biochemistry and Biophysics Laboratory GRIB IMIM, Universitat Pompeu Fabra, Barcelona Biomedical Research Park PRBB, c Doctor Aiguader 88, 08003 Barcelona, Spain
J Phys Chem B 115:11017-27. 2011..Future investigations that determine the required enzymatic parameters to populate such a scheme will allow for the model to be refined in order to track the time for viral maturation and infectivity...