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1
المؤلفون: Kaifang Huang, John Z. H. Zhang, Xiaoyu Zhao, Yalong Cong, Lili Duan, Song Luo
المصدر: Nanoscale. 13:8313-8332
مصطلحات موضوعية: chemistry.chemical_classification, Drug, Protease, 010304 chemical physics, medicine.drug_class, medicine.medical_treatment, media_common.quotation_subject, 010402 general chemistry, medicine.disease_cause, 01 natural sciences, Molecular Docking Simulation, 0104 chemical sciences, Enzyme, chemistry, 0103 physical sciences, medicine, Biophysics, General Materials Science, Ritonavir, Antiviral drug, Saquinavir, medicine.drug, Coronavirus, media_common
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::166795a2ba635cf5a0f24d83635ff841
https://doi.org/10.1039/d0nr07833f -
2
المؤلفون: Song Luo, Yalong Cong, John Z. H. Zhang, Kaifang Huang, Shuheng Dong, Lili Duan
المصدر: Physical Chemistry Chemical Physics. 23:2025-2037
مصطلحات موضوعية: Binding Sites, biology, Protein family, Chemistry, bcl-X Protein, General Physics and Astronomy, Bcl-xL, Plasma protein binding, Molecular Dynamics Simulation, Cell cycle, Alanine scanning, Mice, Proto-Oncogene Proteins c-bcl-2, biology.protein, Biophysics, Animals, Humans, Thermodynamics, BAX complex, bcl-Associated Death Protein, Physical and Theoretical Chemistry, Binding site, Protein Binding, bcl-2-Associated X Protein, Entropy (order and disorder)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::069026a42e021f14c6fee5254717fc7f
https://doi.org/10.1039/d0cp04693k -
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المؤلفون: Song Luo, Susu Zhong, Shuheng Dong, Lili Duan, Kaifang Huang
المصدر: Physical Chemistry Chemical Physics. 22:4240-4251
مصطلحات موضوعية: Receiver operating characteristic, General Physics and Astronomy, Drug design, Matthews correlation coefficient, Chemistry Techniques, Analytical, Protein Structure, Tertiary, Models, Chemical, Proto-Oncogene Proteins c-bcl-2, Free energies, Physical and Theoretical Chemistry, Entropy (energy dispersal), Biological system, Decoy, Native structure, Mathematics, Binding affinities
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::125ebc4031fff357be269ab0b81ead88
https://doi.org/10.1039/c9cp06459a -
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المؤلفون: Song, Luo, Kaifang, Huang, Xiaoyu, Zhao, Yalong, Cong, John Z H, Zhang, Lili, Duan
المصدر: Nanoscale. 13(17)
مصطلحات موضوعية: Molecular Docking Simulation, Cysteine Endopeptidases, Pharmaceutical Preparations, SARS-CoV-2, COVID-19, Humans, Molecular Dynamics Simulation, Viral Nonstructural Proteins, Antiviral Agents
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::f610ae5f2b9e8825461098a1c33c7245
https://pubmed.ncbi.nlm.nih.gov/33900318 -
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المؤلفون: Song Luo, Kaifang Huang, Shuheng Dong, Xiaoyu Zhao, Lili Duan, Hao Li
المصدر: Molecular Physics. 119
مصطلحات موضوعية: Physics, 010304 chemical physics, Basis (linear algebra), Biophysics, Self guided, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Folding (chemistry), Molecular dynamics, 0103 physical sciences, Protein folding, Statistical physics, Physical and Theoretical Chemistry, Langevin dynamics, Molecular Biology
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6
المؤلفون: Lili Duan, Susu Zhong, Yalong Cong, Kaifang Huang, Song Luo, John Z. H. Zhang
المصدر: Nanoscale. 12(19)
مصطلحات موضوعية: Physics, 010304 chemical physics, Correlation coefficient, Electric potential energy, Adipates, Entropy, Enthalpy, Solvation, Estimator, Thermodynamics, Succinates, Molecular Dynamics Simulation, 010402 general chemistry, Ligands, 01 natural sciences, 0104 chemical sciences, symbols.namesake, 0103 physical sciences, Linear regression, symbols, General Materials Science, Entropy (energy dispersal), van der Waals force, Protein Binding
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f4b57417085ab6b1fc9ac94e0662d830
https://pubmed.ncbi.nlm.nih.gov/32388542 -
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المؤلفون: Yuchen Li, Susu Zhong, Kaifang Huang, Lili Duan, John Z. H. Zhang, Yalong Cong
المصدر: Nanoscale. 12(13)
مصطلحات موضوعية: Streptavidin, Biotin binding, genetic structures, 010304 chemical physics, Entropy, Cooperative binding, Thermodynamic integration, Biotin, Cooperativity, Hydrogen Bonding, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, chemistry.chemical_compound, Molecular dynamics, chemistry, Models, Chemical, Chemical physics, 0103 physical sciences, Mutation, General Materials Science, Potential of mean force, Entropic force
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee107a050804e82f73c0e427b5c2e4c3
https://pubmed.ncbi.nlm.nih.gov/32191786 -
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المؤلفون: Xiehuang Sheng, Lili Duan, Zhengrong Xiao, Kaifang Huang, Susu Zhong, Yuchen Li
المصدر: The journal of physical chemistry. B. 123(41)
مصطلحات موضوعية: Conformational change, Protein Conformation, Entropy, Binding energy, Molecular Dynamics Simulation, 010402 general chemistry, Ligands, 01 natural sciences, Molecular dynamics, symbols.namesake, 0103 physical sciences, Materials Chemistry, Side chain, Humans, Physical and Theoretical Chemistry, Binding site, Binding Sites, 010304 chemical physics, Chemistry, Hydrogen bond, Thrombin, Hydrogen Bonding, Ligand (biochemistry), 0104 chemical sciences, Surfaces, Coatings and Films, Chemical physics, symbols, Thermodynamics, van der Waals force, Protein Binding
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المؤلفون: Kaifang Huang, Susu Zhong, John Z. H. Zhang, Zhengrong Xiao, Lili Duan, Yalong Cong
المصدر: Physical chemistry chemical physics : PCCP. 21(37)
مصطلحات موضوعية: Lung Neoplasms, Entropy, Mutant, Static Electricity, General Physics and Astronomy, 02 engineering and technology, Drug resistance, 010402 general chemistry, 01 natural sciences, symbols.namesake, Static electricity, medicine, Anaplastic lymphoma kinase, Anaplastic Lymphoma Kinase, Physical and Theoretical Chemistry, Electrostatic interaction, Chemistry, Large cell, 021001 nanoscience & nanotechnology, medicine.disease, Molecular biology, 0104 chemical sciences, Lymphoma, Drug Resistance, Neoplasm, Mutation, symbols, Lymphoma, Large-Cell, Anaplastic, van der Waals force, 0210 nano-technology
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0906e0871f8c8a7b7db08f79fb3d1f20
https://pubmed.ncbi.nlm.nih.gov/31524891 -
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المؤلفون: Yalong Cong, Shuheng Dong, Song Luo, John Z.H. Zhang, Kaifang Huang, Yuxi Lv, Lili Duan, Han Wang
المصدر: Journal of Molecular Liquids. 336:116214
مصطلحات موضوعية: Bridging (networking), biology, Binding free energy, Hydrogen bond, Ligand, Chemistry, 02 engineering and technology, Alanine scanning, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Electronic, Optical and Magnetic Materials, Molecular dynamics, Crystallography, Materials Chemistry, biology.protein, Physical and Theoretical Chemistry, 0210 nano-technology, Neuraminidase, Spectroscopy, Entropy (order and disorder)