Nature Search

Integrative residue-intuitive machine learning and MD Approach to Unveil Allosteric Site and Mechanism for β2AR

The identification of cryptic allosteric sites presents a formidable challenge. Here, the authors develop a residue-intuitive hybrid ML model coupled with MD simulation to successfully identify a novel allosteric site of β2AR and a negative allosteric modulator.

Xin Chen
Kexin Wang
Xuemei Pu
ResearchOpen Access16 Sept 2024
Nature Communications

Volume: 15, P: 1-17
Single-cell transcriptome profiling reveals neutrophil heterogeneity in homeostasis and infection

Luo and colleagues use single-cell RNA sequencing to provide a comprehensive transcriptional landscape of neutrophil maturation, function and fate decision in their steady state and during bacterial infection.

Xuemei Xie
Qiang Shi
Hongbo R. Luo
Research27 Jul 2020
Nature Immunology

Volume: 21, P: 1119-1133
Gibberellins play an essential role in late embryogenesis of Arabidopsis

Embryo development is a critical stage and is influenced by hormones. Here, it is shown that gibberellins promote embryonic axis elongation through an interaction between DELLA proteins and transcription factor LEC1, which induces auxin biosynthesis.

Yilong Hu
Limeng Zhou
Xingliang Hou
Research03 May 2018
Nature Plants

Volume: 4, P: 289-298
Ultra-fast triplet-triplet-annihilation-mediated high-lying reverse intersystem crossing triggered by participation of nπ*-featured excited states

Here, the authors investigate naphthalimide-based compounds with cold triplet excitons utilized by triplet-triplet annihilation-mediated high-lying reverse intersystem crossing, and realize rate constant of over 10⁹ s⁻¹ with exciton utilization efficiency of 46.7% in organic light-emitting diodes.

Yanju Luo
Kai Zhang
Zhiyun Lu
ResearchOpen Access12 Nov 2022
Nature Communications

Volume: 13, P: 1-12
Coupling complementary strategy to flexible graph neural network for quick discovery of coformer in diverse co-crystal materials

Experimental determination of new cocrystals remains challenging due to the need of a systematic screening with a large range of coformers. Here the authors develop a flexible deep learning framework based on graph neural network demonstrated to quickly predict the formation of co-crystals.

Yuanyuan Jiang
Zongwei Yang
Xuemei Pu
ResearchOpen Access12 Oct 2021
Nature Communications

Volume: 12, P: 1-14
Functional dissection of human targets for KSHV-encoded miRNAs using network analysis

Yu Wang
Yun Lin
Menglong Li
ResearchOpen Access09 Jun 2017
Scientific Reports

Volume: 7, P: 1-9
Characteristics of peptic ulcer bleeding in cirrhotic patients with esophageal and gastric varices

Zheng Lu
Xiaotian Sun
Hanwei Li
ResearchOpen Access18 Nov 2020
Scientific Reports

Volume: 10, P: 1-10
Comprehensive analysis of trihelix genes and their expression under biotic and abiotic stresses in Populus trichocarpa

Zhanchao Wang
Quangang Liu
Chuanping Yang
ResearchOpen Access26 Oct 2016
Scientific Reports

Volume: 6, P: 1-15
Irisin protects cardiomyocytes against hypoxia/reoxygenation injury via attenuating AMPK mediated endoplasmic reticulum stress

Rongchuan Yue
Mingming Lv
Houxiang Hu
ResearchOpen Access06 May 2022
Scientific Reports

Volume: 12, P: 1-11
Shining Light on Molecular Mechanism for Odor-selectivity of CNT-immobilized Olfactory Receptor

Liyun Zhang
Yuan Yuan
Xuemei Pu
ResearchOpen Access18 May 2018
Scientific Reports

Volume: 8, P: 1-15
Molecular mechanism of carbon nanotube to activate Subtilisin Carlsberg in polar and non-polar organic media

Liyun Zhang
Yuzhi Li
Xuemei Pu
ResearchOpen Access22 Nov 2016
Scientific Reports

Volume: 6, P: 1-15
Unfolding mechanism of thrombin-binding aptamer revealed by molecular dynamics simulation and Markov State Model

Xiaojun Zeng
Liyun Zhang
Menglong Li
ResearchOpen Access05 Apr 2016
Scientific Reports

Volume: 6, P: 1-14
Dissecting the regulation rules of cancer-related miRNAs based on network analysis

Zhongyu Liu
Yanzhi Guo
Menglong Li
ResearchOpen Access03 Oct 2016
Scientific Reports

Volume: 6, P: 1-10
A Combination of Chemometrics and Quantum Mechanics Methods Applied to Analysis of Femtosecond Transient Absorption Spectrum of Ortho-Nitroaniline

Jing Yi
Ying Xiong
Tao Xu
ResearchOpen Access19 Jan 2016
Scientific Reports

Volume: 6, P: 1-11
Probing Immobilization Mechanism of alpha-chymotrypsin onto Carbon Nanotube in Organic Media by Molecular Dynamics Simulation

Liyun Zhang
Xiuchan Xiao
Xuemei Pu
ResearchOpen Access19 Mar 2015
Scientific Reports

Volume: 5, P: 1-11
Exploring functions of long noncoding RNAs across multiple cancers through co-expression network

Suqing Li
Bin Li
Xuemei Pu
ResearchOpen Access07 Apr 2017
Scientific Reports

Volume: 7, P: 1-13

Search

Integrative residue-intuitive machine learning and MD Approach to Unveil Allosteric Site and Mechanism for β2AR

Single-cell transcriptome profiling reveals neutrophil heterogeneity in homeostasis and infection

Gibberellins play an essential role in late embryogenesis of Arabidopsis

Ultra-fast triplet-triplet-annihilation-mediated high-lying reverse intersystem crossing triggered by participation of nπ*-featured excited states

Coupling complementary strategy to flexible graph neural network for quick discovery of coformer in diverse co-crystal materials

Functional dissection of human targets for KSHV-encoded miRNAs using network analysis

Characteristics of peptic ulcer bleeding in cirrhotic patients with esophageal and gastric varices

Comprehensive analysis of trihelix genes and their expression under biotic and abiotic stresses in Populus trichocarpa

Irisin protects cardiomyocytes against hypoxia/reoxygenation injury via attenuating AMPK mediated endoplasmic reticulum stress

Shining Light on Molecular Mechanism for Odor-selectivity of CNT-immobilized Olfactory Receptor

Molecular mechanism of carbon nanotube to activate Subtilisin Carlsberg in polar and non-polar organic media

Unfolding mechanism of thrombin-binding aptamer revealed by molecular dynamics simulation and Markov State Model

Dissecting the regulation rules of cancer-related miRNAs based on network analysis

A Combination of Chemometrics and Quantum Mechanics Methods Applied to Analysis of Femtosecond Transient Absorption Spectrum of Ortho-Nitroaniline

Probing Immobilization Mechanism of alpha-chymotrypsin onto Carbon Nanotube in Organic Media by Molecular Dynamics Simulation

Exploring functions of long noncoding RNAs across multiple cancers through co-expression network

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