CHARMM-GUI Input Generator for NAMD, Gromacs, Amber, Openmm, and CHARMM/OpenMM Simulations using the CHARMM36 Additive Force Field

Jumin Lee, Xi Cheng, Sunhwan Jo, +3

Biophysical Journal

Charmm-gui Input GeneratorEngineeringPhysicsModeling And SimulationComputational Mechanics +1

Structural insights into the lipid and ligand regulation of serotonin receptors

Peiyu Xu, Sijie Huang, Huibing Zhang, +16

Nature

Signal TransductionBiochemistryG Protein-coupled ReceptorMedicineNeurotransmitter +7

Molecular recognition of morphine and fentanyl by the human μ-opioid receptor

Youwen Zhuang, Yue Wang, Bingqing He, +20

Cell

Opioid EpidemicMolecular PharmacologyHealth SciencesBiochemistryAddiction +12

SARS-CoV-2 envelope protein causes acute respiratory distress syndrome (ARDS)-like pathological damages and constitutes an antiviral target

Bingqing Xia, Xu-Rui Shen, Yang He, +31

Cell Research

Comparative study of volatile organic compounds in ambient air using observed mixing ratios and initial mixing ratios taking chemical loss into account – A case study in a typical urban area in Beijing

Jian Gao, Jie Zhang, Hong Li, +12

The Science of The Total Environment

Environmental MonitoringEngineeringAir Pollution MeasurementUrban Air QualityAir Quality +14

Structures of full-length glycoprotein hormone receptor signalling complexes

Jia Duan, Peiyu Xu, Xi Cheng, +12

Nature

Signal TransductionMolecular PhysiologyG Protein-coupled ReceptorHormonal ReceptorReceptor (Biochemistry) +4

CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems

Xi Cheng, Sunhwan Jo, Hui Sun Lee, +2

Journal of Chemical Information and Modeling

Charmm-gui Micelle BuilderProteinlipid InteractionEngineeringBiochemistryMedicine +12

GPCR activation and GRK2 assembly by a biased intracellular agonist

Jia Duan, Heng Liu, Fenghui Zhao, +15

Nature

Molecular PharmacologySignal TransductionMolecular PhysiologySignaling PathwayG Protein-coupled Receptor +9

Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor

Youwen Zhuang, B. Krumm, Huibing Zhang, +12

Cell Research

Model bias in simulating major chemical components of PM _2.5 in China

Ruqian Miao, Qi Chen, Yan Zheng, +13

Atmospheric chemistry and physics