A5066635668- Protein Structure and Dynamics
- Enzyme Structure and Function
- RNA and protein synthesis mechanisms
- Advanced Battery Materials and Technologies
- Advancements in Battery Materials
- Bacteriophages and microbial interactions
- Autophagy in Disease and Therapy
- Acute Myeloid Leukemia Research
- DNA and Nucleic Acid Chemistry
- Lipid Membrane Structure and Behavior
- Hippo pathway signaling and YAP/TAZ
- Cellular transport and secretion
- Endoplasmic Reticulum Stress and Disease
- Antimicrobial Peptides and Activities
- Supercapacitor Materials and Fabrication
- RNA Research and Splicing
- Biochemical and Structural Characterization
- Plant tissue culture and regeneration
- Photonic and Optical Devices
- RNA modifications and cancer
- Machine Learning in Bioinformatics
- CRISPR and Genetic Engineering
- Genomics and Chromatin Dynamics
- Semiconductor Lasers and Optical Devices
- Cancer-related Molecular Pathways
University of New Mexico
2020-2025
Zhejiang University
2017-2024
Beijing Friendship Hospital
2024
Capital Medical University
2024
Jilin University
2021-2024
New Mexico Cancer Center
2024
UNM Comprehensive Cancer Center
2024
Chongqing Medical University
2023
Sun Yat-sen University
2006-2022
Third Affiliated Hospital of Sun Yat-sen University
2013-2022
Abstract Xanthine oxidase (XO) is a crucial enzyme in the development of hyperuricemia and gout. This study focuses on LWM ALPM, two food-derived inhibitors XO. We used molecular docking to obtain three systems then conducted 200 ns dynamics simulations for Apo, LWM, ALPM systems. The results reveal stronger binding affinity peptide XO, potentially due increased hydrogen bond formation. Notable changes were observed XO tunnel upon inhibitor binding, particularly with which showed thinner,...
ATG5 is one of the core autophagy proteins with additional functions such as noncanonical membrane atg8ylation, which among a growing number biological outputs includes control tuberculosis in animal models. Here, we show that associates retromer’s components VPS26, VPS29, and VPS35 modulates retromer function. Knockout blocked trafficking key glucose transporter sorted by retromer, GLUT1, to plasma membrane. Knockouts other genes essential for component, affected GLUT1 sorting, indicating...
A unified coarse-grained model of three major classes biological molecules—proteins, nucleic acids, and polysaccharides—has been developed. It is based on the observations that repeated units biopolymers (peptide groups, acid bases, sugar rings) are highly polar their charge distributions can be represented crudely as point multipoles. The an extension united residue (UNRES) proteins developed previously in our laboratory. respective force fields defined potentials mean biomacromolecules...
The inhibition of protein-protein interactions is a growing strategy in drug development. In addition to structured regions, many protein loop regions are involved and thus have been identified as potential targets. To effectively target such structure critical. Loop prediction challenging subgroup the field because reduced level conservation sequences compared secondary elements. AlphaFold 2 has suggested be one greatest achievements prediction. predicted structures near X-ray resolution...
The strategies for achieving a high cationic transport polymer electrolyte (HTPE) have mostly focused on developing single-ion conducting electrolytes, which is far from being practical due to sluggish ion transport. Herein, we present an unprecedented approach designing HTPE via in situ copolymerization of regular ionic and monomers the presence lithium salt. HTPE, i.e., poly(VEC10-r-LiSTFSI), exhibits combination impressive properties, including number (0.73), conductivity (1.60 mS cm–1),...
Canonical autophagy captures within specialized double-membrane organelles, termed autophagosomes, an array of cytoplasmic components destined for lysosomal degradation. An autophagosome is completed when the growing phagophore undergoes ESCRT-dependent membrane closure, a prerequisite its subsequent fusion with endolysosomal organelles and degradation sequestered cargo. ATG9A, key integral protein pathway, best known role in formation expansion phagophores. Here, we report hitherto...
An efficient Agrobacterium-mediated durum wheat transformation system has been developed for the production of 121 independent transgenic lines. This improved used Agrobacterium strain AGL1 containing superbinary pGreen/pSoup vector and cv Stewart as recipient plant. Acetosyringone at 400 μM was added to both inoculation cultivation medium, picloram 10 mg l−1 2 in induction respectively. Compared with 200 media, increased acetosyringone concentration led significantly higher GUS...
A proposed coarse-grained model of nucleic acids demonstrates that average interactions between base dipoles, together with chain connectivity and excluded-volume interactions, are sufficient to form double-helical structures DNA RNA molecules. Additionally, local determine helix handedness direction strand packing. This result, earlier research on reduced protein models, suggests mean-field multipole-multipole the principal factors responsible for formation regular structure biomolecules.
The protein structure prediction problem continues to elude scientists. Despite the introduction of many methods, only modest gains were made over last decade for certain classes targets. To address this challenge, a social-media based worldwide collaborative effort, named WeFold, was undertaken by 13 labs. During collaboration, laboratories simultaneously competing with each other. Here, we present first attempt at "coopetition" in scientific research applied and refinement problems....
Significance With the example of coarse-grained United Residue model polypeptide chains, this paper demonstrates that physics-based approach for protein-structure prediction can lead to exceptionally good results when correct domain packing is an issue, even a highly homologous target. The reason probably emphasis placed on energetically favorable residue–residue interactions, including those with residues in relatively flexible linker regions; these regions are usually very different target...
Participating as the Cornell-Gdansk group, we have used our physics-based coarse-grained UNited RESidue (UNRES) force field to predict protein structure in 11th Community Wide Experiment on Critical Assessment of Techniques for Protein Structure Prediction (CASP11). Our methodology involved extensive multiplexed replica exchange simulations target proteins with a recently improved UNRES provide better reproductions local structures polypeptide chains. All were started from fully extended...
Abstract We explored the energy‐parameter space of our coarse‐grained UNRES force field for large‐scale ab initio simulations protein folding, to obtain good initial approximations hierarchical optimization with new virtual‐bond‐angle bending and side‐chain‐rotamer potentials which we recently introduced replace statistical potentials. 100 sets energy‐term weights were generated randomly, selected by carrying out replica‐exchange molecular dynamics two peptides a minimal α‐helical β‐hairpin...
Antimicrobial peptides (AMPs), produced by a wide range of organisms, have attracted attention due to their potential use as novel antibiotics. The majority these are cationic and thought function permeabilizing the bacterial membrane, either making pores or dissolving it ('carpet' model). A key hypothesis in literature is that antimicrobial hemolytic activity correlate with binding affinity anionic zwitterionic membranes, respectively. Here we test this using free energy data collected from...
Two-dimensional (2D) transition metal dichalcogenides (TMDs) have been widely used in electronic and optoelectronic devices. However, 2D TMDs suffer from surface defects ambient gas absorption, which significantly degrade their properties. Here we revealed the passivation effect of methylamine (MA) halide on molybdenum disulfide (MoS2) outstanding lead-based/MoS2 hybrid structure. Lead-free MA3Bi2Br9 with a high-crystalline quasi-layered structure was to prolong MABr MoS2. As result,...
Purpose This study aims to assess the research performance of scientific teams under “Open Bidding for Selecting Best Candidates” policy in Beijing by constructing a comprehensive evaluation system. It focuses on analyzing teams’ capabilities output capacity, direction continuity, integration disciplines and tightness team cooperation, providing theoretical support strategic guidance selection optimization teams. Design/methodology/approach takes 33 university leaders as sample, chosen...