Results 321 to 330 of about 8,517,557 (393)

Unlocking the Power of Quercetin‐Encapsulated Mesoporous Bioactive Glass Nanoparticles: A Multifunctional Approach to Bone Regeneration

Advanced Engineering Materials, EarlyView.
Mesoporous bioactive glass nanoparticles (MBGNs) are investigated for bone regeneration given their remarkable structural and functional properties. MBGNs are functionalized with Mn and Cu and incorporated with quercetin, a natural flavonoid exhibiting antioxidant, anti‐inflammatory, and antimicrobial properties.
Giovanni Lo Bello, Qaisar Nawaz, Pier Francesco Ferrari, Laura Pastorino, Roberto Raiteri, Aldo R. Boccaccini   +5 more
wiley   +1 more source

Elucidating the isorhamnetin-3-O-glucoside-iNOS interaction via molecular dynamics and Hirshfeld surface analyses. [PDF]

PLoS One
Khibech O, Bouammali H, Hammouti Y, Bouhrim M, Merzouki M, Abadi S, Al-Zharani M, Nasr FA, Qurtam AA, Bouammalli B, Challioui A.   +10 more
europepmc   +1 more source

Energy Landscape and Kinetic Analysis of Molecular Dynamics Simulations for Intrinsically Disordered Proteins. [PDF]

J Phys Chem B
Schäffler M, Wales DJ, Strodel B.
europepmc   +1 more source

Experimental and Molecular Dynamics Investigation of the Rejuvenation Effect of Bio-Oils on Aged High-Penetration Asphalt. [PDF]

Materials (Basel)
Xiong H, Liang S, Liu Q, Ren S, Pipintakos G, Wu S, Liu M, Xu S.   +7 more
europepmc   +1 more source

Development of a Machine Learning Interatomic Potential for Zirconium and Its Verification in Molecular Dynamics. [PDF]

Nanomaterials (Basel)
Wan Y, Zhang X, Zhang L.
europepmc   +1 more source

Data on molecular docking and molecular dynamics targeting Mycobacterium tuberculosis shikimic acid kinase

Hinata Taniguchi, Shuhei Kawamoto, Kohei Monobe, Shunsuke Aoki   +3 more
openalex   +1 more source

Machine learning for nonadiabatic molecular dynamics: best practices and recent progress. [PDF]

Chem Sci
Müller C, Sršeň Š, Bachmair B, Crespo-Otero R, Li J, Mausenberger S, Pinheiro M, Worth G, Lopez SA, Westermayr J.   +9 more
europepmc   +1 more source

A dynamical-nonequilibrium molecular dynamics (D-NEMD) alanine scanning approach for identifying allosteric positions in proteins

Balega B, Beer M, Pike DT, Spencer J, Oliveira ASF, Mulholland AJ.   +5 more
europepmc   +1 more source