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On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics

The Journal of chemical physics, 2017-08, Vol.147 (6), p.064112-064112

2017

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Multiscale simulation unravels the light-regulated reversible inhibition of dihydrofolate reductase by phototrexate

The Journal of chemical physics, 2022-06, Vol.156 (24), p.245102-245102

2022

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Prolonged persistence of canine distemper virus RNA, and virus isolation in naturally infected shelter dogs

PloS one, 2023-01, Vol.18 (1), p.e0280186-e0280186

2023

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Transition Metal Oxide Electrode Materials for Supercapacitors: A Review of Recent Developments

Nanomaterials (Basel, Switzerland), 2021-05, Vol.11 (5), p.1248

2021

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First-Principles Nonadiabatic Dynamics Simulation of Azobenzene Photodynamics in Solutions

Journal of chemical theory and computation, 2021-05, Vol.17 (5), p.3019-3030

Liang, Ruibin

2021

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Multiscale simulation reveals a multifaceted mechanism of proton permeation through the influenza A M2 proton channel

Proceedings of the National Academy of Sciences - PNAS, 2014-07, Vol.111 (26), p.9396-9401

2014

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Mobile barrier mechanisms for Na + -coupled symport in an MFS sugar transporter

eLife, 2024-02, Vol.12

2024

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Application of the SCC-DFTB Method to Hydroxide Water Clusters and Aqueous Hydroxide Solutions

The journal of physical chemistry. B, 2013-05, Vol.117 (17), p.5165-5179

2013

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Effects of Enzyme–Ligand Interactions on the Photoisomerization of a Light-Regulated Chemotherapeutic Drug

The journal of physical chemistry. B, 2022-03, Vol.126 (12), p.2382-2393

2022

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Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel

Journal of chemical theory and computation, 2014-01, Vol.10 (1), p.451-462

2014

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Synthesis and characterization of covalently colored polymer latex based on new polymerizable anthraquinone dyes

Colloid and polymer science, 2012-12, Vol.290 (18), p.1893-1900

2012

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Protein confinement fine-tunes aggregation-induced emission in human serum albumin

Physical chemistry chemical physics : PCCP, 2021-12, Vol.23 (46), p.26263-26272

2021

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Understanding the Multifaceted Mechanism of Compound I Formation in Unspecific Peroxygenases through Multiscale Simulations

The journal of physical chemistry. B, 2023-10, Vol.127 (41), p.8809-8824

2023

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Computational Characterization of the Reactivity of Compound I in Unspecific Peroxygenases

The journal of physical chemistry. B, 2023-12, Vol.127 (51), p.10987-10999

2023

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Facile-Synthesized Ni-Metal–Organic Framework/Nano Carbon Electrode Material for High-Performance Supercapacitors

Energy & fuels, 2022-07, Vol.36 (13), p.7115-7120

2022

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Clarifying the catalytic mechanism of the DNase1 family

Biophysical journal, 2024-02, Vol.123 (3), p.356a-356a

2024

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Molecular Basis for the Cation Selectivity of Salmonella typhimurium Melibiose Permease

Journal of molecular biology, 2022-06, Vol.434 (12), p.167598-167598, Article 167598

2022

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On the Simulation of Thermal Isomerization of Molecular Photoswitches in Biological Systems

Journal of chemical theory and computation, 2023-09, Vol.19 (18), p.6484-6499

2023

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Multi-scale impacts of oil shocks on travel and leisure stocks: A MODWT-Bayesian TVP model with shrinkage approach

Technological forecasting & social change, 2024-03, Vol.200, p.123191, Article 123191

2024

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High performance g-C3N4 @NiMoO4/CoMoO4 electrode for supercapacitors

Journal of solid state chemistry, 2022-03, Vol.307, p.122845, Article 122845

2022

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Free-form surface form error evaluation based on smaller-scale sampling points in touch-trigger probing

Precision engineering, 2022-07, Vol.76, p.255-260

2022

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Gold-oil dynamic relationship and the asymmetric role of geopolitical risks: Evidence from Bayesian pdBEKK-GARCH with regime switching

Resources policy, 2022-09, Vol.78, p.102917, Article 102917

2022

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Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ and ππ Excited States

Journal of the American Chemical Society, 2020-12, Vol.142 (49), p.20680-20690

2020

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The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044101-044101

2018

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Nonadiabatic Photodynamics of Retinal Protonated Schiff Base in Channelrhodopsin 2

The journal of physical chemistry letters, 2019-06, Vol.10 (11), p.2862-2868

2019

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On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics

Multiscale simulation unravels the light-regulated reversible inhibition of dihydrofolate reductase by phototrexate

Prolonged persistence of canine distemper virus RNA, and virus isolation in naturally infected shelter dogs

Transition Metal Oxide Electrode Materials for Supercapacitors: A Review of Recent Developments

First-Principles Nonadiabatic Dynamics Simulation of Azobenzene Photodynamics in Solutions

Multiscale simulation reveals a multifaceted mechanism of proton permeation through the influenza A M2 proton channel

Mobile barrier mechanisms for Na + -coupled symport in an MFS sugar transporter

Application of the SCC-DFTB Method to Hydroxide Water Clusters and Aqueous Hydroxide Solutions

Effects of Enzyme–Ligand Interactions on the Photoisomerization of a Light-Regulated Chemotherapeutic Drug

Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel

Synthesis and characterization of covalently colored polymer latex based on new polymerizable anthraquinone dyes

Protein confinement fine-tunes aggregation-induced emission in human serum albumin

Understanding the Multifaceted Mechanism of Compound I Formation in Unspecific Peroxygenases through Multiscale Simulations

Computational Characterization of the Reactivity of Compound I in Unspecific Peroxygenases

Facile-Synthesized Ni-Metal–Organic Framework/Nano Carbon Electrode Material for High-Performance Supercapacitors

Clarifying the catalytic mechanism of the DNase1 family

Molecular Basis for the Cation Selectivity of Salmonella typhimurium Melibiose Permease

On the Simulation of Thermal Isomerization of Molecular Photoswitches in Biological Systems

Multi-scale impacts of oil shocks on travel and leisure stocks: A MODWT-Bayesian TVP model with shrinkage approach

High performance g-C3N4 @NiMoO4/CoMoO4 electrode for supercapacitors

Free-form surface form error evaluation based on smaller-scale sampling points in touch-trigger probing

Gold-oil dynamic relationship and the asymmetric role of geopolitical risks: Evidence from Bayesian pdBEKK-GARCH with regime switching

Nonadiabatic Dynamics Simulation of the Wavelength-Dependent Photochemistry of Azobenzene Excited to the nπ and ππ Excited States

The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers

Nonadiabatic Photodynamics of Retinal Protonated Schiff Base in Channelrhodopsin 2

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