Flexible docking molecular dynamic simulation between enzyme and inhibitor
Seibutsu Butsuri, 2003 N. Kamiya, J. Higo
openaire +2 more sources
Transfer Learning Approaches in Bioprocess Engineering: Opportunities and Challenges
Biotechnology and Bioengineering, EarlyView.ABSTRACT Transfer learning (TL) has recently emerged as a promising approach to overcoming one of the key limitations of bioprocess engineering: data scarcity. By leveraging knowledge from one bioprocess to another, TL allows existing models and data sets to be reused efficiently, accelerating process development, improving prediction accuracy, and ...
Daniel Barón Díaz +3 more
wiley +1 more source
QSAR analysis and molecular docking simulation of norepinephrine transporter (NET) inhibitors as anti-psychotic therapeutic agents. [PDF]
Heliyon, 2019 Olasupo SB +3 more
europepmc +1 more source
BMEMat, EarlyView.The effects of NETs on regeneration of various diabetic tissues, and strategies targeting NETs for diabetes tissue regeneration. In the diabetic environment, NETs undergo complex metabolic and immune reprogramming, leading to dynamic changes in antibacterial and proinflammatory functions, and affecting regeneration of multiple systemic tissues.
Xinyi Jiang +6 more
wiley +1 more source
Boron Neutron Capture Therapy at a Crossroads: Translational Gap and Emerging Delivery Agents
Chemistry – A European Journal, EarlyView.This review surveys recent advances in boron delivery agents for BNCT, emphasizing the shift from classical small molecules to multifunctional nanocarriers and theranostic systems. By integrating targeting, imaging, and therapy, next‐generation boron compounds aim to bridge the gap between (bio)chemical innovation and clinical translation.
Christoph Selg, Evamarie Hey‐Hawkins
wiley +1 more source
Isoform Specificity of a Compound Targeting Actin Filaments Containing Tropomyosin Tpm1.8/1.9
Cytoskeleton, EarlyView.ABSTRACT The unbranched actin filaments in mammalian cells are usually composed of co‐polymers of a specific tropomyosin isoform with actin. Genetic manipulation has revealed that the tropomyosins largely define the functional properties of actin filaments in an isoform‐specific, non‐redundant manner.
Jeff Hook +2 more
wiley +1 more source
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.A scalable dual‐functional strategy yields simultaneously sulfonated and nanosized cellulose for proton exchange membranes with continuous hydrogen‐bond networks. These sustainable membranes exhibit low‐humidity proton conductivity twofold higher than Nafion 212, providing a robust solution for next‐generation fuel cells.
Nan Li +6 more
wiley +1 more source
Domino Multicomponent Approach for the Synthesis of Functionalized Spiro-Indeno[1,2-b]quinoxaline Heterocyclic Hybrids and Their Antimicrobial Activity, Synergistic Effect and Molecular Docking Simulation. [PDF]
Molecules, 2019 Almansour AI +8 more
europepmc +1 more source
European Journal of Inorganic Chemistry, EarlyView.Myceliophthora thermophila laccase covalently immobilized on bismuth silicate (BiSi‐ext) achieved synergistic adsorption–biodegradation of Tectilon Blue 4R‐01 and ibuprofen. The biocatalyst showed enhanced stability, reusability, and rapid pollutant removal via expanded active‐site accessibility, enabling efficient, eco‐friendly wastewater remediation.
Erick Paiva Cancella +6 more
wiley +1 more source
Artificial intelligence in preclinical epilepsy research: Current state, potential, and challenges
Epilepsia Open, EarlyView.Abstract Preclinical translational epilepsy research uses animal models to better understand the mechanisms underlying epilepsy and its comorbidities, as well as to analyze and develop potential treatments that may mitigate this neurological disorder and its associated conditions. Artificial intelligence (AI) has emerged as a transformative tool across
Jesús Servando Medel‐Matus +7 more
wiley +1 more source