Constant pH replica exchange molecular dynamics in biomolecules using a discrete protonation model

Lignende værker

• pH-Replica Exchange Molecular Dynamics In Proteins Using A Discrete Protonation Method
  af: Dashti, Danial Sabri, et al.
  Udgivet: (2012)
• Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation
  af: Swails, Jason M., et al.
  Udgivet: (2014)
• Continuous Constant pH Molecular Dynamics in Explicit Solvent with pH-Based Replica Exchange
  af: Wallace, Jason A., et al.
  Udgivet: (2011)
• pH Replica-Exchange Method based on discrete protonation states
  af: Itoh, Satoru G., et al.
  Udgivet: (2011)
• Computing Alchemical Free Energy Differences with Hamiltonian Replica Exchange Molecular Dynamics (H-REMD) Simulations
  af: Meng, Yilin, et al.
  Udgivet: (2011)