A combination of virtual screening, molecular dynamics simulation, MM/PBSA, ADMET, and DFT calculations to identify a potential DPP4 inhibitor

Zare, Fateme, Ataollahi, Elaheh, Mardaneh, Pegah, Sakhteman, Amirhossein, Keshavarz, Valiollah, Solhjoo, Aida, Emami, Leila

Scientific Reports. 14(1)

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Title	A combination of virtual screening, molecular dynamics simulation, MM/PBSA, ADMET, and DFT calculations to identify a potential DPP4 inhibitor
Authors	Zare, Fateme, Ataollahi, Elaheh, Mardaneh, Pegah, Sakhteman, Amirhossein, Keshavarz, Valiollah, Solhjoo, Aida, Emami, Leila
Source	Scientific Reports. 14(1)

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