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Description
This technology can accurately predict the interaction forces (such as hydrogen bonds and hydrophobic interactions) between small molecule compounds and the active pockets of target proteins, accurately obtain binding conformations and binding energy data, and provide direct guidance for subsequent structural optimization
Moen MD, Keating GM, Vogel VG
2011;301:H71220
Procaccini C, La Rocca C, Carbone F, De Rosa V, Galgani M, Matarese G
