Results 141 to 150 of about 4,935 (245)

Revealing the Binding Mechanism of Gossypol on Bcl‑2 via Funnel Metadynamics Simulations. [PDF]

ACS Omega
Zhu T, He S, Luo M, Wang W.
europepmc   +1 more source

Near‐Unity Selectivity Inversion Between CO2 Electroreduction and H2 Evolution via Atomic Coordination Editing

Advanced Science, EarlyView.
Atomic coordination editing functions as an on/off switch that toggles single‐atom catalysts between CO2 electroreduction and hydrogen evolution. ABSTRACT Precise atomic coordination editing of single‐atom catalysts (SACs) provides an effective strategy to tune their electronic structures and catalytic selectivity. Yet, achieving near‐unity selectivity
Yukun Zhao, Yuanyuan He, Mengyu Duan, Peng Yin, Jinxing Chen, Xu Han, Jie Yang, Yulin Wang, Xingjie Fu, Shibo Xi, Chuncheng Chen, Jiong Lu   +11 more
wiley   +1 more source

Diagnosis and treatment of complement-mediated thrombotic microangiopathies: consensus of the Genetic Diseases Committee of the Chilean Society of Nephrology. [PDF]

BMC Nephrol
Musalem P, Bascur N, Sepúlveda RA, Krall P, Lazcano A, Navarro G, Rojo A, Grandy J.   +7 more
europepmc   +1 more source

De Novo Design of Membrane‐Targeting Antimicrobial Peptides Against Gram‐Negative Bacteria Using a Generative Artificial Intelligence Framework

Advanced Science, EarlyView.
Antimicrobial resistance caused by Gram‐negative bacteria remains difficult to overcome due to the protective outer membrane. To address this challenge, a multi‐condition constrained generative AI framework, GenMTAMP is proposed for de novo membrane‐targeting antimicrobial peptide design by integrating physicochemical and spatial structure descriptors.
Jingxiao Yu, Da‐Wen Sun, QingYi Wei, Yibing Zhang, Jidong Tang, Hongbin Pu   +5 more
wiley   +1 more source

Red Phosphorus by Atomic Layer Deposition. [PDF]

Nano Lett
Zazpe R, Charvot J, Rodriguez-Pereira J, Váňa J, Hromádko L, Pavliňák D, Mistrik J, Kurka M, Macak JM, Bureš F.   +9 more
europepmc   +1 more source

Entropy Decoding the Fundamental Law of Phase Competition in Glass Formation

Advanced Science, EarlyView.
We validate the integration of intermetallic and eutectic phases as initial phases for composition design. The phase competition mechanism in glass formation is quantitatively clarified based on the melting entropy of competing phases. Glass‐forming ability is modulated by tuning phase competition via the melting entropy of initial phases.
Benke Huo, Zhengqing Cai, Bingtao Wang, Zhenqiang Song, Shi‐Dong Feng, Zijing Li, Xingjun Liu, Li‐Min Wang   +7 more
wiley   +1 more source

Discovery of Niclosamide Analogs with Potent Mitochondrial Uncoupling Activity and Reduced Mitochondrial Inhibition-Associated Toxicity. [PDF]

ACS Med Chem Lett
Jiang H, Macorano A, Xing E, Jedoui M, Mohammed S, Lee V, Cheng J, McDonough L, Cheng X, Ye J, Li PK.   +10 more
europepmc   +1 more source

On affine-ruled rational surfaces

Mathematische Annalen, 1981
openaire   +1 more source

Lessons From Drug Discovery for Cryoprotective Agent Design: An AI‐Oriented Perspective

Advanced Science, EarlyView.
Cryoprotectant design is reframed through the lens of drug discovery as a multiparameter optimization problem. This perspective highlights how AI and systematic design strategies could enable safer, more effective cryoprotectants, while identifying key limitations that currently constrain predictive progress in cryobiology. ABSTRACT Cryopreservation is
Dominika Wilczok, Jesús Valdés‐Hernández, Varinia Bernales, Alán Aspuru‐Guzik, Alex Zhavoronkov   +4 more
wiley   +1 more source

Acid Versus Amide-Facts and Fallacies: A Case Study in Glycomimetic Ligand Design. [PDF]

Molecules
Smieško M, Jakob RP, Mühlethaler T, Preston RC, Maier T, Ernst B.   +5 more
europepmc   +1 more source