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1
المؤلفون: Bo Tang, Chang G. Ji, Ya Gao, Ye Mei, Qing G. Zhang, John Z. H. Zhang, Li L. Duan
المصدر: Science China Chemistry. 57:1708-1715
مصطلحات موضوعية: Crystallography, Leucine zipper, Solvation shell, Chemistry, Hydrogen bond, Protein dynamics, Peptide bond, Molecule, General Chemistry, Force field (chemistry), Alpha helix
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2
المؤلفون: Li L. Duan, Qing G. Zhang, John Z. H. Zhang, Tong Zhu, Bo Tang, Ye Mei
المصدر: Journal of Molecular Modeling. 19:2605-2612
مصطلحات موضوعية: biology, Protein Conformation, Chemistry, Organic Chemistry, Proteins, Thermodynamics, Molecular Dynamics Simulation, biology.organism_classification, Protein Structure, Secondary, Catalysis, Computer Science Applications, Accessible surface area, Inorganic Chemistry, Solvent, Hydrophobic effect, Molecular dynamics, Crystallography, Protein structure, Computational Theory and Mathematics, Sasa, Solvents, Radius of gyration, Physical and Theoretical Chemistry, Hydrophobic and Hydrophilic Interactions, Algorithms
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3
المؤلفون: Qing G. Zhang, Li L. Duan, John Z. H. Zhang, Yu C Li, Tong Zhu
المصدر: Scientific Reports
مصطلحات موضوعية: Time Factors, Multidisciplinary, Materials science, 010304 chemical physics, Correlation coefficient, Hydrogen bond, Binding energy, Water, Hydrogen Bonding, HIV Protease Inhibitors, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Fluorescence, Article, Force field (chemistry), 0104 chemical sciences, Molecular dynamics, HIV Protease, Chemical physics, 0103 physical sciences, Thermodynamics, Molecule, Quantum
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4
المؤلفون: Guo Q. Feng, Li L. Duan, Qing G. Zhang
المصدر: Scientific Reports
مصطلحات موضوعية: Models, Molecular, Materials science, Static Electricity, Binding energy, Molecular Dynamics Simulation, Ligands, 010402 general chemistry, 01 natural sciences, Molecular mechanics, Biophysical Phenomena, Article, Force field (chemistry), Molecular dynamics, 0103 physical sciences, Static electricity, Humans, Computer Simulation, Binding site, Binding Sites, Multidisciplinary, 010304 chemical physics, Hydrogen bond, Thrombin, Water, Hydrogen Bonding, Ligand (biochemistry), 0104 chemical sciences, Chemical physics, Quantum Theory, Protein Binding
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5
المؤلفون: Li L. Duan, Dawei Zhang, Qing G. Zhang, John Z. H. Zhang, Ye Mei
المصدر: Journal of the American Chemical Society. 132:11159-11164
مصطلحات موضوعية: Protein Folding, Hydrogen bond, Chemistry, Static Electricity, Temperature, Proteins, Energy landscape, Hydrogen Bonding, Phi value analysis, General Chemistry, Molecular Dynamics Simulation, Contact order, Biochemistry, Protein Structure, Secondary, Catalysis, Crystallography, Colloid and Surface Chemistry, Chemical physics, Cluster Analysis, Thermodynamics, Protein folding, Downhill folding, Folding funnel, Protein secondary structure
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6
المؤلفون: Li L. Duan, John Z. H. Zhang, Yan Tong, Ye Mei, Qing Gang Zhang
المصدر: Journal of Theoretical and Computational Chemistry. :1265-1279
مصطلحات موضوعية: biology, Chemistry, Stereochemistry, Protonation, Cleavage (embryo), Polarizable continuum model, Computer Science Applications, Crystallography, Molecular dynamics, Computational Theory and Mathematics, HIV-1 protease, biology.protein, Molecule, Physical and Theoretical Chemistry, Protein ligand, Conjugate
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7
المؤلفون: Qing G. Zhang, Bo Tang, Tong Zhu, Li L. Duan, John Z. H. Zhang
المصدر: Journal of Molecular Modeling
مصطلحات موضوعية: Protein Folding, Static Electricity, Molecular dynamics, Molecular Dynamics Simulation, Catalysis, Inorganic Chemistry, Protein structure, Neurofilament Proteins, Polarization effect, Lattice protein, Native state, Physical and Theoretical Chemistry, Protein secondary structure, Original Paper, Chemistry, Organic Chemistry, Contact order, Protein tertiary structure, Peptide Fragments, Computer Science Applications, Protein Structure, Tertiary, Crystallography, Computational Theory and Mathematics, Solvents, Protein folding, Solvent model, Hydrophobic and Hydrophilic Interactions
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8
المؤلفون: John Z. H. Zhang, Bo Tang, Ya Gao, Ye Mei, Qing G. Zhang, Li L. Duan
المصدر: The journal of physical chemistry. B. 116(10)
مصطلحات موضوعية: chemistry.chemical_classification, Protein Folding, Chemistry, Hydrogen bond, Protein Data Bank (RCSB PDB), Beta sheet, Temperature, Water, Peptide, Hydrogen Bonding, Molecular Dynamics Simulation, Protein Structure, Secondary, Surfaces, Coatings and Films, Molecular dynamics, Crystallography, Materials Chemistry, Cluster Analysis, Physical and Theoretical Chemistry, Peptides, Protein secondary structure, Alpha helix, Polyproline helix
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9
المؤلفون: Ye Mei, John Z. H. Zhang, Li L. Duan, Qing G. Zhang
المصدر: The Journal of chemical physics. 130(11)
مصطلحات موضوعية: Models, Molecular, Quantitative Biology::Biomolecules, Time Factors, Hydrogen bond, Chemistry, Protein Conformation, Protein Stability, Molecular biophysics, Static Electricity, Beta sheet, General Physics and Astronomy, Proteins, Hydrogen Bonding, Protein Structure, Secondary, Molecular dynamics, Protein structure, Chemical physics, Physical chemistry, Quantum Theory, Computer Simulation, Physical and Theoretical Chemistry, Polarization (electrochemistry), Protein secondary structure, Quantum
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10
المؤلفون: John Z. H. Zhang, Li L. Duan, Qing G. Zhang, Bo Tang, Ye Mei
المصدر: Journal of Theoretical and Computational Chemistry. 13:1440005
مصطلحات موضوعية: education.field_of_study, Chemistry, Population, Energy landscape, Electrostatics, Force field (chemistry), Computer Science Applications, Crystallography, Molecular dynamics, Computational Theory and Mathematics, Chemical physics, Physical and Theoretical Chemistry, education, Quantum, Native structure
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11
المؤلفون: Ye Mei, Li L. Duan, Qing G. Zhang, John Z. H. Zhang, Yan Tong
المصدر: The Journal of Chemical Physics. 127:145101
مصطلحات موضوعية: Protease, biology, Protein Conformation, Chemistry, medicine.medical_treatment, Ab initio, Water, General Physics and Astronomy, Crystallography, HIV Protease, HIV-1 protease, Computational chemistry, Ab initio quantum chemistry methods, medicine, biology.protein, Quantum Theory, Molecule, Density functional theory, Physical and Theoretical Chemistry, Peptides, Quantum, Algorithms, Conjugate