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

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

Available for UP System via Science Direct

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

Abstract

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

Abstract

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

Abstract

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

Abstract

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

Molecular dynamics of glass-forming systems effects of pressure od Floudas, George 1961-

Available for University of the Philippines Diliman via SpringerLink. Click here to access