Simulation of Reversible Protein–Protein Binding and Calculation of Binding Free Energies Using Perturbed Distance Restraints

Lignende værker

• Toward Automated Free Energy Calculation with Accelerated Enveloping Distribution Sampling (A-EDS)
  af: Perthold, Jan Walther, et al.
  Udgivet: (2020)
• On Restraints in End-Point Protein-Ligand Binding Free Energy Calculations
  af: Menzer, William M., et al.
  Udgivet: (2019)
• Molecular dynamics simulations and free energy calculations of netropsin and distamycin binding to an AAAAA DNA binding site
  af: Dolenc, Jožica, et al.
  Udgivet: (2005)
• Charge-Changing Perturbations and Path Sampling via Classical Molecular Dynamic Simulations of Simple Guest–Host Systems
  af: Öhlknecht, Christoph, et al.
  Udgivet: (2020)
• Exploring the binding pathways of the 14-3-3ζ protein: Structural and free-energy profiles revealed by Hamiltonian replica exchange molecular dynamics with distancefield distance restraints
  af: Nagy, Gabor, et al.
  Udgivet: (2017)