A5101441459- Computational Drug Discovery Methods
- Biometric Identification and Security
- Receptor Mechanisms and Signaling
- Underwater Acoustics Research
- Protein Structure and Dynamics
- Crystal Structures and Properties
- Face and Expression Recognition
- Blockchain Technology Applications and Security
- Gold and Silver Nanoparticles Synthesis and Applications
- Advanced biosensing and bioanalysis techniques
- Underwater Vehicles and Communication Systems
- Ferroptosis and cancer prognosis
- Innovation Diffusion and Forecasting
- Privacy-Preserving Technologies in Data
- Speech and Audio Processing
- Mathematical and Theoretical Epidemiology and Ecology Models
- Opinion Dynamics and Social Influence
- Mathematical Biology Tumor Growth
- Tensor decomposition and applications
- Medical Image Segmentation Techniques
- Cryptography and Data Security
- Nonlinear Optical Materials Research
- Image Retrieval and Classification Techniques
- Supramolecular Self-Assembly in Materials
- IoT and Edge/Fog Computing
Hunan University
2019-2025
Wuhan Polytechnic University
2023-2024
Simcere Pharmaceutical (China)
2022-2024
Hangzhou Institute of Applied Acoustics
2022-2023
Shanghai Jiao Tong University
2009-2022
Wuhan University
2008-2022
Institute of Mountain Hazards and Environment
2022
Chinese Academy of Sciences
2022
Southern Medical University
2010-2020
State Key Laboratory of Chemobiosensing and Chemometrics
2019-2020
Abstract Motivation: The use of allosteric modulators as preferred therapeutic agents against classic orthosteric ligands has colossal advantages, including higher specificity, fewer side effects and lower toxicity. Therefore, the computational prediction sites in proteins is receiving increased attention field drug discovery. Allosite a newly developed automatic tool for interest now available through web server. Availability: server tutorials are freely at http://mdl.shsmu.edu.cn/AST...
Allostery is the most direct and efficient way for regulation of biological macromolecule function induced by binding a ligand at an allosteric site topographically distinct from orthosteric site. AlloSteric Database (ASD, http://mdl.shsmu.edu.cn/ASD) has been developed to provide comprehensive information on allostery. Owing inherent high receptor selectivity lower target-based toxicity, expected assume more prominent role in drug discovery bioengineering, leading rapid growth findings. In...
Class B G protein-coupled receptors (GPCRs) are important targets in the treatment of metabolic syndrome and diabetes. Although multiple structures class GPCRs–G protein complexes have been elucidated, detailed activation mechanism remains unclear. Here, we combine Gaussian accelerated molecular dynamics simulations Markov state models (MSM) to investigate a canonical GPCR, human glucagon receptor–GCGR, including negative allosteric modulator-bound inactive state, agonist glucagon-bound...
Based on imbalanced data, the predictive models for 5-year survivability of breast cancer using decision tree are proposed. After data preprocessing from SEER datasets, it is obviously that category distribution imbalanced. Under-sampling taken to make up disadvantage performance caused by data. The evaluated AUC under ROC curve, accuracy, specificity and sensitivity with 10-fold stratified cross-validation. best while approximately equal. Bagging algorithm used build an integration model...
Allosteric regulation is one of the most direct and efficient ways to fine-tune protein function; it induced by binding a ligand at an allosteric site that topographically distinct from orthosteric site. The Database (ASD, available online http://mdl.shsmu.edu.cn/ASD) was developed ten years ago provide comprehensive information related regulation. In recent years, has received great attention in biological research, bioengineering, drug discovery, leading emergence entire landscapes as...
The mechanism and gene markers of head neck squamous cell carcinoma (HNSCC), a common malignant tumor, have not yet been identified. aim this study was to identify the key genes pathways associated with HNSCC further analyze its molecular prognostic significance. In study, expression profile chip data GSE6631 from Gene Expression Omnibus (GEO) included paired tumor normal samples 22 patients; RNAseq tertiary dataset corresponding clinical information Cancer Genome Atlas (TCGA) biological 12...
Abstract Allostery is a universal, biological phenomenon in which orthosteric sites are fine‐tuned by topologically distal allosteric triggered perturbations, such as ligand binding, residue mutations, or post‐translational modifications. Allosteric regulation implicated variety of physiological and pathological conditions thus emerging novel avenue for drug discovery. drugs have traditionally been discovered serendipity through large‐scale experimental screening. Recently, we witnessed...
Laser damage threshold (LDT) and the second harmonic generation (SHG) effect have been considered as key parameters of infrared (IR) nonlinear optical (NLO) materials. Infrared NLO crystals with both large LDT strong SHG efficiency are very scarce. The combination V5+ cations d0 electrons alkali metal Li+ generates an IR material, low temperature phase Li3VO4. single crystal Li3VO4 sizes up to 25 mm × 14 3 has grown by top-seeded solution growth method using V2O5 flux in open system this...
Personal recognition using palm–vein patterns has emerged as a promising alternative for human because of its uniqueness, stability, live body identification, flexibility, and difficulty to cheat. With the expanding application pattern recognition, corresponding growth database resulted in long response time. To shorten time this paper proposes simple useful classification identification based on principal direction features. In registration process, Gaussian-Radon transform is adopted...
The exhaustive investigating interactions between recognition probes and amyloid aggregates, especially simultaneous events, are challenging crucial for the design of biosensing further diagnosis diseases. In present work, aptamers (Apts) with β-amyloid (Aβ) aggregates were explored thoroughly by single-molecule force spectroscopy (SMFS). Indeed, it was found that interaction aptamer1 (Apt1)–amyloid different from aptamer2 (Apt2)–Aβ40 at level. Especially, Apt1–Aβ40 fibril showed a double...
The payment channel network aims to solve the problems of long confirmation time and limited throughput in cryptocurrencies through off-chain payments. Hash Time-Lock Contract (HTLC) is an protocol that Lightning Network (LN) adopted. Unfortunately, when performing high-valued payments off-chain, due impact capacity, it often necessary split a single payment, which increases transaction fees time. Therefore, we propose LightPay, atomic multi-path based on adapter signature discrete logarithm...
The real application of DNA-functionalized gold nanoparticles (DNA-Au NPs) was limited by decreased stability and irreversible aggregation in high-ionic strength solutions complex systems. Therefore, exploring a kind DNA-Au NPs with excellent systems is challenging significant. Herein, novel universal bioconjugate strategy for constructing ultrastable designed based on the combination polydopamine (PDA) shell DNA linker. obtained DNA-linked Au@polydopamine (DNA-Au@PDA showed colloidal...