Statistical Estimation of the Protein-Ligand Binding Free Energy Based On Direct Protein-Ligand Interaction Obtained by Molecular Dynamics Simulation

समान संसाधन

• Improved Estimation of Protein-Ligand Binding Free Energy by Using the Ligand-Entropy and Mobility of Water Molecules
  द्वारा: Fukunishi, Yoshifumi, और अन्य
  प्रकाशित: (2013)
• Prediction of ligand-binding sites of proteins by molecular docking calculation for a random ligand library
  द्वारा: Fukunishi, Yoshifumi, और अन्य
  प्रकाशित: (2011)
• Advances in free-energy-based simulations of protein folding and ligand binding
  द्वारा: Perez, Alberto, और अन्य
  प्रकाशित: (2016)
• Free Energy Profile of APOBEC3G Protein Calculated by a Molecular Dynamics Simulation
  द्वारा: Fukunishi, Yoshifumi, और अन्य
  प्रकाशित: (2012)
• Calculation of absolute protein–ligand binding free energy from computer simulations
  द्वारा: Woo, Hyung-June, और अन्य
  प्रकाशित: (2005)