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The EMBO Journal5d
AlphaDesign: a de novo protein design framework based on AlphaFold
Our approach leverages AlphaFold (AF) (Jumper et al, 2021) for structure prediction and autoregressive diffusion models (ADM) (Hoogeboom et al, 2022) for sequence optimisation. To develop a method ...
C&EN3d
Sequence Requirements of the ATP-Binding Site within the C-Terminal Nucleotide-Binding Domain of Mouse P-Glycoprotein: Structure−Activity Relationships for Flavonoid Binding†
Department of Chemical Pathology, University of Cape Town Medical School, Observatory 7925, Cape Town, South Africa, Institut de Biologie et Chimie des Protéines, UMR 5086, CNRS/Université Claude ...
C&EN3d
Unraveling the Role of Charge Patterning in the Micellar Structure of Sequence-Defined Amphiphilic Peptoid Oligomers by Molecular Dynamics Simulations
Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, United States ...