Understanding molecular simulation from algorithms to applications door Frenkel, Daan, Smit, Berend

Available for UP System via Science Direct

Molecular docking studies of 3-thioindoles as potent antiviral and antibacterial agents door Agua, Olivia Francesca B.

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In silico investigation on the loading mechanisms of rosette nanotubes as the drug vehicle for doxorubicin and paclitaxel molecules door Ali, Hanah Nasifa M.

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Drug design and in silico screening of potential HIV non-nucleoside reverse transcriptase inhibitors (NNRTIs) door Suplito, Ryan Christian R.

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Adsorption of parabens, triclosan, and their chlorinated derivatives onto carbon nanomaterials: a molecular dynamics investigation door Labiano, Christian Mark P.

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Etch-stop mechanisms in plasma-assisted atomic layer etching of silicon nitride: a molecular dynamics study door Tercero, Jomar U.

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Determination of possible inhibitors of NS2b-NS3 Protease, a known dengue virus replication complex, using molecular modeling door Cordero, Allen Mathew Fortuno

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Molecular engineering thermodynamics door De Pablo, Juan J., Schieber, Jay D.

Available for University of the Philippines Diliman College of Engineering via eTextbooks under Cambridge Platform. Click here to access

Molecular modeling and multiscaling issues for electronic material applications.

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Atomistic computer simulations a practical guide door Brazdova, Veronika, Bowler, David R.