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Accelerating enzyme discovery and engineering with high-throughput screening
Covering: up to August 2024 Enzymes play an essential role in synthesizing value-added
chemicals with high specificity and selectivity. Since enzymes utilize substrates derived from …
chemicals with high specificity and selectivity. Since enzymes utilize substrates derived from …
[HTML][HTML] Alzheimer's Disease: Exploring Pathophysiological Hypotheses and the Role of Machine Learning in Drug Discovery
J Dominguez-Gortaire, A Ruiz… - International …, 2025 - pmc.ncbi.nlm.nih.gov
Alzheimer's disease (AD) is a major neurodegenerative dementia, with its complex
pathophysiology challenging current treatments. Recent advancements have shifted the …
pathophysiology challenging current treatments. Recent advancements have shifted the …
[HTML][HTML] ATP-Binding Cassette and Solute Carrier Transporters: Understanding Their Mechanisms and Drug Modulation Through Structural and Modeling Approaches
The ATP-binding cassette (ABC) and solute carrier (SLC) transporters play pivotal roles in
cellular transport mechanisms, influencing a wide range of physiological processes and …
cellular transport mechanisms, influencing a wide range of physiological processes and …
Predicting Protein-Protein Binding Affinity with Deep Learning: A Comparative Analysis of CNN and Transformer Models
Binding affinity (BA) prediction is important for drug discovery and protein engineering. It
seeks to understand the interaction strength between proteins and their ligands (or proteins) …
seeks to understand the interaction strength between proteins and their ligands (or proteins) …
Quantum Mechanics/Molecular Mechanics Simulations for Chiral-Selective Aminoacylation: Unraveling the Nature of Life.
T Ando, K Tamura - Computation, 2024 - search.ebscohost.com
Biological phenomena are chemical reactions, which are inherently non-stop** or"
flowing" in nature. Molecular dynamics (MD) is used to analyze the dynamics and energetics …
flowing" in nature. Molecular dynamics (MD) is used to analyze the dynamics and energetics …
[HTML][HTML] Integrating natural product research laboratory with artificial intelligence: Advancements and breakthroughs in traditional medicine
The Natural Product Research Laboratory (NPRL) of China Medical University Hospital
(CMUH) was established in collaboration with CMUH and Professor Kuo-Hsiung Lee from …
(CMUH) was established in collaboration with CMUH and Professor Kuo-Hsiung Lee from …
A comparative investigation of predicted protein structures of a histidine acid phosphatase from Saccharomyces cerevisiae through molecular docking and MD …
This study compares four predicted models of histidine acid phosphatase (HAP) from
Saccharomyces cerevisiae generated using SWISS-MODEL, YASARA, AlphaFold2, and …
Saccharomyces cerevisiae generated using SWISS-MODEL, YASARA, AlphaFold2, and …
Adaptive protein coevolution preserves telomere integrity
SY Lin, H Futeran, MT Levine - bioRxiv, 2024 - biorxiv.org
Many essential conserved functions depend, paradoxically, on proteins that evolve rapidly
under positive selection. How such adaptively evolving proteins promote biological …
under positive selection. How such adaptively evolving proteins promote biological …
Activating Transcription Factor 6 (ATF6): Structure, Interactions and Inhibition
S Narayanan - 2024 - diva-portal.org
The endoplasmic reticulum (ER) is a very important organelle in cellular activity, especially
in protein biosynthesis, folding, and quality control. In situations where there is stress in the …
in protein biosynthesis, folding, and quality control. In situations where there is stress in the …
Membrane protein folding and design: from structural prediction to protein expression
A Bonta - 2023 - iris.unipv.it
The de novo protein design involves the computational generation of novel proteins that can
fold into specific 3D structures by coupling the innovative technologies of artificial …
fold into specific 3D structures by coupling the innovative technologies of artificial …