Molecular dynamics simulations and docking of non-nucleoside reverse transcriptase inhibitors (NNRTIs): a possible approach to personalized HIV treatment [PDF]
, 2012 Florian D. Roessler +4 more
openalex +1 more source
Advanced Science, EarlyView.HOP, an innovative ICT‐based fluorescent probe, visualizes H2O2 in stressed neurons while locally releasing serotonin (5‐HT) for real‐time protein interaction mapping. Its unique tandem sensing and labeling strategy reveals 5‐HT's role under oxidative stress, offering a powerful tool for neurophysiological research and therapeutic discovery.
Yani Liu +9 more
wiley +1 more source
Corrigendum to "Tanshinone-I for the treatment of uterine fibroids: Molecular docking, simulation, and density functional theory investigations" [Saudi Pharm. J. 31(6) (2023) 1061-1067]. [PDF]
Saudi Pharm J, 2023 Tiwari A +12 more
europepmc +1 more source
Advanced Science, EarlyView.The release of COL6A3 by fibroblasts is sensed by the CD44 receptor on melanocytes, activating glutathione (GSH) metabolism and increasing melanocyte survival during skin organoid culture. SEMA3C released by bulge cells binds to the NRP1 receptor on melanocytes, regulating microtubule stability and promoting melanocyte recruitment and function during ...
Tingting Li +17 more
wiley +1 more source
Structural Insight into the Working Mechanism of the FAD Synthetase from the Human Pathogen Streptococcus pneumoniae: A Molecular Docking Simulation Study. [PDF]
Int J Mol Sci, 2023 Kwon S.
europepmc +1 more source
Molecular Interaction Between PPTI and Shakv1.1 Potassium Channel Explored by Docking and Molecular Dynamics Simulation [PDF]
, 2014 Davood Zaeifi, Mehriar Amininasab
openalex +1 more source
Advanced Science, EarlyView.PRO‐LDM is a modular latent diffusion framework that learns hierarchical biological representations to enable efficient and high‐fidelity protein design. PRO‐LDM can design species that resemble natural sequences with enhanced diversity or optimize protein functions.
Sitao Zhang +15 more
wiley +1 more source
Advanced Science, EarlyView.Acute respiratory distress syndrome (ARDS) is a severe lung condition with limited treatments, often triggered by overactive endothelial cells (ECs). It is identified that macrophage‐derived secretory autophagosomes (MSAPs) exacerbate lung damage by activating EC function.
Xing‐xing Zhu +17 more
wiley +1 more source
Metal Chelates of Sulfafurazole Azo Dye Derivative: Synthesis, Structure Affirmation, Antimicrobial, Antitumor, DNA Binding, and Molecular Docking Simulation. [PDF]
Bioinorg Chem Appl, 2023 El-Ghamry HA +4 more
europepmc +1 more source