584 results on '"Mu, Yuguang"'
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2. A fully differentiable ligand pose optimization framework guided by deep learning and traditional scoring functions
3. Release of frustration drives corneal amyloid disaggregation by brain chaperone
4. Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design
5. An allosteric mechanism for potent inhibition of SARS-CoV-2 main proteinase
6. OnionNet-2: A Convolutional Neural Network Model for Predicting Protein-Ligand Binding Affinity based on Residue-Atom Contacting Shells
7. Quantitative Interpretations of Energetic Features and Key Residues at SARS Coronavirus Spike Receptor-Binding Domain and ACE2 Receptor Interface
8. Revealing the intricate mechanism governing the pH-dependent activity of a quintessential representative of flavoproteins, glucose oxidase
9. Electroflocculation of indigo dyeing wastewater from industrial production: Flocs growth and adsorption mechanism
10. Weighted persistent homology for osmolyte molecular aggregation and hydrogen-bonding network analysis
11. OnionNet: a multiple-layer inter-molecular contact based convolutional neural network for protein-ligand binding affinity prediction
12. Persistent homology analysis of osmolyte molecular aggregation and their hydrogen-bonding networks
13. Crystal structure of the Rubella virus protease reveals a unique papain-like protease fold
14. SARS-CoV-2 accessory protein 7b forms homotetramers in detergent
15. Cholesterol-stabilized membrane-active nanopores with anticancer activities
16. Benchmarking reverse docking through AlphaFold2 human proteome.
17. Concentration‐Driven Evolution of Adaptive Artificial Ion Channels or Nanopores with Specific Anticancer Activities
18. ProAffinity-GNN: A Novel Approach to Structure-based Protein-Protein Binding Affinity Prediction via a Curated Dataset and Graph Neural Networks
19. RmsdXNA: RMSD prediction of nucleic acid-ligand docking poses using machine-learning method.
20. A new paradigm for applying deep learning to protein–ligand interaction prediction.
21. Structures, Interactions and Activity of the N-Terminal Truncated Variants of Antimicrobial Peptide Thanatin
22. Fimbrin phosphorylation by metaphase Cdk1 regulates actin cable dynamics in budding yeast
23. Optimization of replica exchange temperature ladder under the well-tempered ensemble
24. zPoseScore model for accurate and robust protein–ligand docking pose scoring in CASP15
25. Molecular dynamics simulation of multivalent ion mediated DNA attraction
26. Membrane Potential-Dependent Uptake of Cationic Oligoimidazolium Mediates Bacterial DNA Damage and Death
27. Weighted persistent homology for osmolyte molecular aggregation and hydrogen-bonding network analysis
28. Subpicosecond Conformational Dynamics of Small Peptides Probed by Two-Dimensional Vibrational Spectroscopy
29. Application of computational approaches in biomembranes: From structure to function.
30. Molecular Dynamics and Simulation
31. Extended Structure of Rat Islet Amyloid Polypeptide in Solution
32. zPoseScore model for accurate and robust protein-ligand docking pose scoring in CASP15
33. Barnacle Cement Protein: An Efficient Bioinspired Corrosion Inhibitor
34. Gradient Nanoconfinement Facilitates Binding of Transcriptional Factor NF-κB to Histone- and Protamine-DNA Complexes
35. Genomic, transcriptomic, and metabolomic analysis of Oldenlandia corymbosa reveals the biosynthesis and mode of action of anti‐cancer metabolites
36. Enantiomeric glycosylated cationic block co-beta-peptides eradicate Staphylococcus aureus biofilms and antibiotic-tolerant persisters
37. Abundant neuroprotective chaperone Lipocalin-type prostaglandin D synthase (L-PGDS) disassembles the Amyloid-β fibrils
38. Variational graph encoders: a surprisingly effective generalist algorithm for holistic computer-aided drug design
39. Revealing the biotoxicity of phosphorene oxide nanosheets based on the villin headpiece
40. Hypoxia deactivates epigenetic feedbacks via enzyme-derived clicking proteolysis-targeting chimeras
41. A fully differentiable ligand pose optimization framework guided by deep learning and a traditional scoring function
42. Biothiol-triggered H2S release from a near-infrared fluorescent H2S donor promotes cutaneous wound healing
43. Biothiol-Triggered Hydrogen Sulfide (H2S) Release from Near-Infrared Fluorescence H2S Donor for Promoting Cutaneous Wound Healing
44. In Silico Repurposed Drugs against Monkeypox Virus
45. A novel anti-cancer agent, acetyltanshinone IIA, inhibits oestrogen receptor positive breast cancer cell growth by down-regulating the oestrogen receptor
46. Genomic, transcriptomic, and metabolomic analysis of Traditional Chinese Medicine plant Oldenlandia corymbosa reveals the biosynthesis and mode of action of anti-cancer metabolites
47. Genome instability is associated with ethnic differences between Asians and Europeans in hepatocellular carcinoma
48. Modulation of Mechanical Properties of Short Bioinspired Peptide Materials by Single Amino-Acid Mutations.
49. Crystal structure of the Rubella virus protease reveals a unique papain-like protease fold
50. SARS-CoV 2 accessory protein 7b forms homotetramers in detergent
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