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Accurate computational design of multipass transmembrane proteins File

Lu, Peilong , Min, Duyoung , DiMaio, Frank , Wei, Kathy Y. , Vahey, Michael D. , Boyken, Scott E. , Chen, Zibo , Fallas, Jorge A. , Ueda, George , Sheffler, William , et al

Article Issue Date2018-03 View149
Combinatorial computational method gives new picomolar ligands for a known enzyme File

Grzybowski, BA , Ishchenko, AV , Kim, CY , Topalov, G , Chapman, R , Christianson, DW , Whitesides, GM , Shakhnovich, EI

Article Issue Date2002-02 View166
From knowledge-based potentials to combinatorial lead design in silico File

Grzybowski, BA , Ishchenko, AV , Shimada, J , Shakhnovich, EI

Article Issue Date2002-05 View78
Retro-forward synthesis design and experimental validation of potent structural analogs of known drugs File

Makkawi, Ahmad , Beker, Wiktor , Wolos, Agnieszka , Manna, Sabyasachi , Roszak, Rafal , Szymkuc, Sara , Moskal, Martyna , Koshevarnikov, Aleksei , Molga, Karol , Zadlo-Dobrowolska, Anna , et al

Article Issue Date2025-05 View81
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