Results 211 to 220 of about 11,015,246 (337)

Critical Role of IL1R2‐ENO1 Interaction in Inhibiting Glycolysis‐Mediated Pyroptosis for Protection Against Lethal Sepsis

open access: yesAdvanced Science, EarlyView.
The authors have discovered that intracellular interleukin 1 receptor 2 (IL1R2) negatively regulates pyroptosis and inflammation by inhibiting glycolysis in sepsis. Soluble IL1R2 is released from macrophages undergoing pyroptosis. IL1R2 acts as a novel negative regulator of glycolysis by interacting with enolase 1 (ENO1), thereby inhibiting gasdermin D
Chuyi Tan   +13 more
wiley   +1 more source

BInD: Bond and Interaction‐Generating Diffusion Model for Multi‐Objective Structure‐Based Drug Design

open access: yesAdvanced Science, EarlyView.
Can a generative model design molecules that truly understand their targets? BInD, a diffusion‐based framework, co‐generates 3D molecules and their interactions with proteins by learning target‐specific interacting patterns. With knowledge‐based guidance and NCI‐driven optimization, BInD balances affinity, geometry, and drug‐likeness – pushing the ...
Joongwon Lee   +3 more
wiley   +1 more source

PRO‐LDM: A Conditional Latent Diffusion Model for Protein Sequence Design and Functional Optimization

open access: yesAdvanced Science, EarlyView.
PRO‐LDM is a modular latent diffusion framework that learns hierarchical biological representations to enable efficient and high‐fidelity protein design. PRO‐LDM can design species that resemble natural sequences with enhanced diversity or optimize protein functions.
Sitao Zhang   +15 more
wiley   +1 more source

Drug Resistance Predictions Based on a Directed Flag Transformer

open access: yesAdvanced Science, EarlyView.
 CAPTURE, a deep learning framework combining structural and sequence data to predict drug‐resistant Mpro mutations, revealing that PAXLOVID use may be accelerating resistance—supporting real‐time viral surveillance and therapeutic design. Abstract The evolving SARS‐CoV‐2 virus threatens global public health, particularly with potential resistance to ...
Dong Chen   +8 more
wiley   +1 more source

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