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Items: 3

1.

Explaining the Microtubule Energy Balance: Contributions Due to Dipole Moments, Charges, van der Waals and Solvation Energy.

Ayoub AT, Staelens M, Prunotto A, Deriu MA, Danani A, Klobukowski M, Tuszynski JA.

Int J Mol Sci. 2017 Sep 22;18(10). pii: E2042. doi: 10.3390/ijms18102042.

2.

Structure Based Modeling of Small Molecules Binding to the TLR7 by Atomistic Level Simulations.

Gentile F, Deriu MA, Licandro G, Prunotto A, Danani A, Tuszynski JA.

Molecules. 2015 May 8;20(5):8316-40. doi: 10.3390/molecules20058316.

3.

Detailed computational study of the active site of the hepatitis C viral RNA polymerase to aid novel drug design.

Barakat KH, Law J, Prunotto A, Magee WC, Evans DH, Tyrrell DL, Tuszynski J, Houghton M.

J Chem Inf Model. 2013 Nov 25;53(11):3031-43. doi: 10.1021/ci4003969. Epub 2013 Oct 24.

PMID:
24116674

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