A5003462595- Protein Structure and Dynamics
- Cancer-related molecular mechanisms research
- Enzyme Structure and Function
- Ferroptosis and cancer prognosis
- Computational Drug Discovery Methods
- Microbial Metabolic Engineering and Bioproduction
- Plant biochemistry and biosynthesis
- Mathematical functions and polynomials
- RNA modifications and cancer
- FOXO transcription factor regulation
- Pharmacogenetics and Drug Metabolism
- RNA and protein synthesis mechanisms
- MicroRNA in disease regulation
Hunan Normal University
2024-2025
Changsha Normal University
2024
Mayo Clinic in Florida
2016
University of Minnesota
2012
Functional FOXA1 targeting is mostly unique to each of the four human cancer cell lines HepG2, LNCaP, MCF7, and T47D.
Background: Ferroptosis is a form of programmed cell death triggered by iron-dependent lipid peroxidation, characterized iron accumulation and elevated reactive oxygen species (ROS), leading to membrane damage. It associated with variety diseases. However, the cellular molecular links between ferroptosis, immune inflammation, brain-peripheral blood axis in Alzheimer's disease (AD) remain unclear. Methods: We integrated bulk RNA-seq data from AD brain tissue peripheral refined screening...
Work on protein structure prediction is very useful in biological research. To evaluate their accuracy, experimental structures or derived data are used as the 'gold standard'. However, proteins dynamic molecular machines with structural flexibility such a standard may be unreliable. investigate influence of flexibility, we analysed 3,652 137 unique sequences from 24 families. The results showed that (1) three-dimensional (3D) were not rigid: root-mean-square deviation (RMSD) backbone Cα...
Abstract Background The cytochrome P450 (CYP) superfamily enables terrestrial plants to adapt harsh environments. CYPs are key enzymes involved in a wide range of metabolic pathways. It is particularly useful be able analyse the three-dimensional (3D) structure when investigating interactions between and their substrates. However, only two plant CYP structures have been resolved. In addition, no currently available databases contain structural information on ligands. Fortunately, 3D highly...
The interplay patterns of amino acid residues are pivotal in determining the tertiary structure and flexibility proteins, which turn intricately linked to their functionality interactions with other molecules. Here, we introduce ARIP, a novel tool designed identify contact within proteins. ARIP employs modified version dr_sasa algorithm an atomic overlap weighted directly calculate area volume between atoms based on van der Waals radius. It also allows for selection solvent radii,...
ABSTRACT Molecular geometry and harmonic frequency calculations are essential in thermochemical computations, with density functional theory (DFT) being widely employed for vibrational predictions due to its efficiency accuracy. In this study, we assessed the precision of 28 Minnesota based functionals three different basis sets using VIBFREQ1295 dataset. Scaling factors necessary predicting fundamental frequencies, global scaling were fitted by F38/10 datasets. The superior performing then...