Results 181 to 190 of about 629,692 (340)
A “nutritional trap” strategy centered on disrupting bacterial iron homeostasis is proposed. The synthesized Bi‐TP@FU (TBF) can target Helicobacter pylori, interfere with the bacterial iron uptake and utilization processes to disrupt its iron homeostasis, induce bacterial death, and meanwhile preserve the balance of the intestinal flora.
Tianye Fang +13 more
wiley +1 more source
Cross-docking and redocking reveal distinct determinants of success in physics-based and AI-driven binding pose prediction in protein-ligand complexes. [PDF]
Suri K, Yadav A, Tripathi A, Murugan NA.
europepmc +1 more source
HADDOCK: a protein-protein docking approach based on biochemical or biophysical information.
C. Dominguez, R. Boelens, A. Bonvin
semanticscholar +1 more source
Furrow tillage resolves the conventional‐vs.‐no‐tillage trade‐off by simultaneously cutting CO2 efflux to 2.0–3.0 g C m−2 d−1 and unlocking high nutrient availability for the rice rhizosphere. This scalable agronomic solution strengthens soil health, enhances plant physiology, reshapes microbial metabolism, and shifts paddy systems toward a net ...
Arnab Majumdar +10 more
wiley +1 more source
Structure-based molecular modeling of a novel S-Remiketamine scaffold and derived arylcyclohexanone analogues: NMDA receptor dynamics, MM-GBSA ranking, and CES1-Oriented structural compatibility. [PDF]
Alkhatip AAAMM +11 more
europepmc +1 more source
QRICH1 has been established as a key factor contributing to impaired osteogenic potential and accelerated apoptosis of PDLSCs in diabetic periodontitis. QRICH1 not only significantly enhances UPR‐associated apoptotic signaling but also amplifies NF‐κB‐mediated inflammatory responses. Its inhibition restores osteogenic capacity and reduces alveolar bone
Han Li +9 more
wiley +1 more source
This study reports D34 as the first PROTAC degrader that targets the 3C protease of picornaviruses. D34 effectively degrades EV71 3C protease via the ubiquitin‐proteasome pathway. More importantly, D34 exhibits a high resistance barrier and shows broad‐spectrum antiviral activity against multiple picornaviruses, highlighting its potential as a novel ...
Weilong Deng +9 more
wiley +1 more source
application/pdf; "January 13, 1970."; Includes Budget Message and Highlights of the Budget Report for the Fiscal Year ...
Kansas. Governor (1967-1975 : Docking)
core
PockLigGPT: Pocket-Sequence-Conditioned Molecular Generation with GPTs and RL. [PDF]
Varas Pardo P +4 more
europepmc +1 more source
A bio‐inspired side‐chain branching strategy is developed to orchestrate a dual noncovalent conformational locking (NoCL) network, enabling the construction of perfectly planar NIR‐II phototheranostic aggregates. Such structural precision maximizes light‐harvesting efficiency and optimizes exciton dynamics, ensuring synchronized enhancements in NIR‐II ...
Cheng Lu +11 more
wiley +1 more source

