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【期刊论文】Folding of a Helix at Room Temperature Is Critically Aided by Electrostatic Polarization of Intraprotein Hydrogen Bonds
张增辉
【期刊论文】NMR Scalar Coupling Constant Reveals That Intraprotein Hydrogen Bonds Are Dynamically Stabilized by Electronic Polarization
【期刊论文】Global Dynamics and Transition State Theories: Comparative Study of Reaction Rate Constants for Gas-Phase Chemical Reactions
【期刊论文】Numerical Stabilities in Fitting Atomic Charges to Electric Field and Electrostatic Potential
【期刊论文】Quantum calculation of protein solvation and protein–ligand binding free energy for hiv-1 protease/water complex
【期刊论文】Class I Phospho-inositide-3-kinases (PI3Ks) Isoform-Specific Inhibition Study by the Combination of Docking and Molecular Dynamics Simulation
【期刊论文】Protein’s electronic polarization contributes significantly to its catalytic function
【期刊论文】Structure and Dynamics of a Dizinc Metalloprotein: Effect of Charge Transfer and Polarization
【期刊论文】Electrostatic polarization makes substantial contribution to free energy of avidin-biotin binding
【期刊论文】Dynamical Binding of Hydrogen-Bond Surrogate Derived Bak Helices to Antiapoptotic Protein Bcl-xL
【期刊论文】Computational Characterization of Binding of Small Molecule Inhibitors to HIV-1 gp41
【期刊论文】Selective Binding of Antiinfluenza Drugs and Their Analogues to ‘Open’ and ‘Closed’ Conformations of H5N1 Neuraminidase
【期刊论文】Time-dependent density functional theory study of absorption spectra of metallocenes
【期刊论文】Molecular Dynamic Simulation of Kv1.2 Voltage-gated Potassium Channel in Open and Closed State Conformations
【期刊论文】Protein Polarization Is Critical to Stabilizing AF-2 and Helix-2’ Domains in Ligand Binding to PPAR-γ
【期刊论文】Quantum mechanical studies of residue-specific hydrophobic interactions in p53-MDM2 binding
【期刊论文】Electronic Polarization Is Important in Stabilizing the Native Structures of Proteins
【期刊论文】Design of hybrid inhibitors to HIV-1 protease
【期刊论文】Simulation of NMR Data Reveals that Protein’s local structures Are Stabilized by Electronic Polarization
【期刊论文】Intra-protein hydrogen bonding is dynamically stabilized by electronic polarization
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