Publications in progress

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1. Bhakat S, Söderhjelm P (2016) Resolving the problem of trapped water in binding cavities: Prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics, Journal of Computer-aided Molecular Design, Submitted

2. Moonsamy S, Bhakat S and Soliman M.E., (2015) Identification, binding mode and prospective chemical structural features of novel Nef protein inhibitors as potential anti-HIV drugs, Applied biochemistry and biotechnology, Submitted


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