位置：成果数据库 > 期刊 > 期刊详情页
Discovery and Characterization of Novel, Potent, and Selective Cytochrome P450 2J2 Inhibitors
  • 期刊名称：Drug Metabolism and Disposition
  • 时间：2013.1.1
  • 页码：60-71
  • 相关项目：生物大分子的高效率量子化学分块计算方法和蛋白质极化电荷
作者： Ren, S|Zeng, J|Mei, Y|Zhang, J.Z.H.|Yan, SF|Fei, J|Chen, L|
同期刊论文项目
生物大分子的高效率量子化学分块计算方法和蛋白质极化电荷
期刊论文 44
同项目期刊论文
Electrostatic Polarization Makes a Substantial Contribution to the Free Energy of Avidin-Biotin Bind
Exploring the Molecular Mechanism of Stabilization of the Adhesion Domains of Human CD2 by N?Glycosy
Folding of a Helix Is Critically Stabilized by Polarization of Backbone Hydrogen Bonds: Study in Exp
Fragment density functional theory calculation of NMR chemical shifts for proteins with implicit sol
Molecular Dynamics Simulation Study on the Molecular Structures of the Amylin Fibril Models
Protein's electronic polarization contributes significantly to its catalytic function
Structure and Dynamics of a Dizinc Metalloprotein: Effect of Charge Transfer and Polarization
Calculation of Collective Variable-based PMF by Combining WHAM with Umbrella Sampling
Communications: Electron polarization critically stabilizes the Mg2+ complex in the catalytic core d
Folding dynamics of a small protein at room temperature via simulated coherent two-dimensional infra
The F130L Mutation in Streptavidin Reduces Its Binding Affinity to Biotin through Electronic Polariz
Hybrid many-body-expansion/Shepard-interpolation method for constructing ab initio potential energy
The intrinsic helical propensities of the helical fragments in prion protein under neutral and low p
Effect of Self-Assembly of Fullerene Nano-Particles on Lipid Membrane
A coupled two-dimensional main chain torsional potential for protein dynamics: generation and implem
Electrostatically Embedded Generalized Molecular Fractionation with Conjugate Caps Method for Full Q
Acidic pH retards the fibrillization of human islet amyloid polypeptide due to electrostatic repulsi
Predicting Mutation-Induced Stark Shifts in the Active Site of a Protein with a Polarized Force Fiel
Improving the Scoring of Protein-Ligand Binding Affinity by Including the Effects of Structural Wate
Assessing the accuracy of the general AMBER force field for 2,2,2-trifluoroethanol as solvent
An implementation of hydrophobic force in implicit solvent molecular dynamics simulation for packed
Molecular dynamics study of DNA binding by INT-DBD under a polarized force field
Direct folding simulation of a long helix in explicit water
A numerically stable restrained electrostatic potential charge fitting method
大分子体系的量子化学分块方法(英文)
pH-Dependent Conformational Ensemble and Polymorphism of Amyloid-beta Core Fragment
Ab Initio QM/MM Free Energy Simulations of Peptide Bond Formation in the Ribosome Support an Eight-M
Molecular Dynamics Simulation and Computational Two-Dimensional Infrared Spectroscopic Study of Mode
Polarization of Intraprotein Hydrogen Bond Is Critical to Thermal Stability of Short Helix
Quantifying the Stabilizing Energy of the Intraprotein Hydrogen Bond Due to Local Mutation
Automated Fragmentation QM/MM Calculation of Amide Proton Chemical Shifts in Proteins with Explicit
Dynamical Stability and Assembly Cooperativity of β-Sheet Amyloid Oligomers – Effect of P
Computational Study of HIV-1 gp41 NHR trimer: Inhibition Mechanisms of N-Substituted Pyrrole Derivat