mm/pbsa

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1
Potential tripeptides against the tyrosine kinase domain of human epidermal growth factor receptor (HER) 2 through computational and kinase assay approaches.
Seetaha, Supaphorn;Boonyarit, Bundit;Tongsima, Sissades;Songtawee, Napat;Choowongkomon, Kiattawee;
2020 journal of molecular graphics & modelling DOI: S1093-3263(19)30580-... 201 views
2
Binding recognition of substrates in NS2B/NS3 serine protease of Zika virus revealed by molecular dynamics simulations.
Nutho, Bodee;Rungrotmongkol, Thanyada;
2019 journal of molecular graphics & modelling DOI: S1093-3263(19)30262-... 330 views
3
A Comparative Linear Interaction Energy and MM/PBSA Study on SIRT1-Ligand Binding Free Energy Calculation.
Rifai, Eko Aditya;van Dijk, Marc;Vermeulen, Nico P E;Yanuar, Arry;Geerke, Daan P;
2019 Journal of chemical information and modeling DOI: 10.1021/acs.jcim.9b0... 295 views

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journal of molecular graphics & modelling
ISSN: 1873-4243 423 views

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Tyrosine kinase inhibitor molecular docking molecular dynamics simulation her2-tk tripeptide