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

Available for UP System via Science Direct

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

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

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

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

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

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Molecular engineering thermodynamics de réir 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 de réir Brazdova, Veronika, Bowler, David R.