N. M. Glykos

activity

20202026

most citedFolding molecular dynamics simulation of T-peptide, a HIV viral entry inhibitor : Structure, dynamics, and comparison with the experimental data

2 citations · 4 across the 5 of their papers we have counts for

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q-bio.BM2020

On the propensity of Asn-Gly-containing heptapeptides to form $β$ -turn structures : comparison between ab initio quantum mechanical calculations and Molecular Dynamics simulations

Dimitrios A. Mitsikas, Nicholas M. Glykos

Both molecular mechanical and quantum mechanical calculations play an important role in describing the behavior and structure of molecules. In this work, we compare for the same pe…

On the propensity of Asn-Gly-containing heptapeptides to form β-turn structures : comparison between ab initio quantum mechanical calculations and Molecular Dynamics simulations

On the propensity of Asn-Gly-containing heptapeptides to form $β$ -turn structures : comparison between ab initio quantum mechanical calculations and Molecular Dynamics simulations