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

Available for UP System via Science Direct

Molecular docking studies of 3-thioindoles as potent antiviral and antibacterial agents od 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 od Ali, Hanah Nasifa M.

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

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

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

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

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Molecular engineering thermodynamics od 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.

Available for University of the Philippines System via SpringerLink. Click here to access
Also available remotely for University of the Philippines System via SpringerLink. Click here to access thru EZproxy

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