Journal of chemical information and modeling
39801289
Machine learning methods for fitting potential energy surfaces and molecular dynamics simulations are becoming increasingly popular due to their potentially high accuracy and savings in computational resources. However, existing application models of...
Multiple myeloma is a hematologic malignancy characterized by the proliferation of abnormal plasma cells in the bone marrow. Despite therapeutic advancements, there remains a critical need for reliable, noninvasive methods to monitor multiple myeloma...
Bladder, kidney, and prostate cancers are prevalent urinary cancers, and developing efficient detection methods is of significance for the early diagnosis of them. However, noninvasive and sensitive detection of urinary cancers still challenges tradi...
Specific surface area, pore size, and pore volume are essential biochar properties. Optimization typically reduces yield by focusing on per gram of biochar. This work introduces new indicators and an integrated model to balance quality and quantity, ...
Journal of chemical information and modeling
39982412
Predicting interactions between proteins is fundamental for understanding the mechanisms underlying cellular processes, since protein-protein complexes are crucial in physiological conditions but also in many diseases, for example by seeding aggregat...
Surface-enhanced Raman spectroscopy (SERS) technology has shown broad potential in drug concentration detection, but its application in blood drug monitoring faces significant challenges. The primary difficulty lies in overcoming the interference cau...
The surface modification of titanium (Ti) and its alloys is crucial for improving their osteogenic capability, as their bio-inert nature limits effective osseointegration despite their prevalent use in orthopedic implants. However, these modification...
Langmuir : the ACS journal of surfaces and colloids
40075290
Polymer informatics has attracted increasing attention because machine learning can establish quantitative structure-property relationships in polymer materials. Understanding and controlling protein adsorption on polymer surfaces are crucial for var...
Recalcitrant biofilm infections pose a great challenge to human health. Micro- and nanorobots have been used to eliminate biofilm infections in hard-to-reach regions inside the body. However, applying antibiofilm robots under physiological conditions...
Skin electronics face challenges related to the interface between rigid and soft materials, resulting in discomfort and signal inaccuracies. This study presents the development and characterization of a liquid metal-polydimethylsiloxane (LM-PDMS) sti...