Results 171 to 180 of about 6,062,625 (214)

A gated hydrophobic funnel within BAX binds bioactive lipids to potentiate pro-apoptotic function. [PDF]

open access: yesNat Commun
Gelles JD   +13 more
europepmc   +1 more source

Unsaturated biobased polyesters from bicyclic α‐pinene‐based diols

open access: yesPolymer International, EarlyView.
We present the synthesis of four biosourced unsaturated polyesters made from chiral terpene‐based diols and esters of renewable diacids. The resulting materials harbor a bicyclic pinene ring in their backbones which leads to enhanced thermal properties while still conferring susceptibility to enzyme hydrolysis for chains having a cis alkene.
Ganapathy Ranjani   +4 more
wiley   +1 more source

Data‐Driven Prediction of Block Copolymer Morphology Using Coarse‐Grained Modeling and Machine Learning

open access: yesJournal of Polymer Science, EarlyView.
An integrated framework combining high‐throughput CG‐MD simulations, automated image‐based feature extraction, and supervised machine learning enables efficient, interpretable, and data‐driven prediction of block copolymer morphological behaviors.
Lan Xu, Zhaofan Li, Wenjie Xia
wiley   +1 more source

Geometric Intuition Enables Resource‐Efficient Screening for β‐Barrel‐Like Folds in Viral Structural Dark Matter

open access: yesProteins: Structure, Function, and Bioinformatics, EarlyView.
ABSTRACT Predicted protein structures now enable fold discovery beyond the reach of sequence homology, but scalable and interpretable methods remain limited. We present Cooper‐Beta, a resource‐efficient, chain‐resolved framework for detecting β‐barrel‐like folds from strand connectivity.
Shuyu Zhong, Yuying Jiang
wiley   +1 more source

A minimal physiologically‐based pharmacokinetic modeling platform to predict intratumor exposure and receptor occupancy of an anti‐LAG‐3 monoclonal antibody

open access: yesCPT: Pharmacometrics &Systems Pharmacology, Volume 14, Issue 3, Page 460-473, March 2025.
Abstract In oncology drug development, measuring drug concentrations at the tumor site and at the targeted receptor remains an ongoing challenge. Positron emission tomography (PET)‐imaging is a promising noninvasive method to quantify intratumor exposure of a radiolabeled drug (biodistribution data) and target saturation by treatment doses in vivo ...
Robin Michelet   +8 more
wiley   +1 more source

Chemoenzymatic Synthesis of Well-Defined α(2,8)- and α(2,9)-Linked Oligosialosides. [PDF]

open access: yesAngew Chem Int Ed Engl
Fok JA   +4 more
europepmc   +1 more source

Development of a physiologically‐based pharmacokinetic model for Ritonavir characterizing exposure and drug interaction potential at both acute and steady‐state conditions

open access: yesCPT: Pharmacometrics &Systems Pharmacology, Volume 14, Issue 3, Page 523-539, March 2025.
Abstract Ritonavir (RTV) is a potent CYP3A inhibitor that is widely used as a pharmacokinetic (PK) enhancer to increase exposure to select protease inhibitors. However, as a strong and complex perpetrator of CYP3A interactions, RTV can also enhance the exposure of other co‐administered CYP3A substrates, potentially causing toxicity.
Lien Thi Ngo   +5 more
wiley   +1 more source

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