All Stories

  1. Stress tensor and constant pressure simulation for polarizable Gaussian multipole model
  2. Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations
  3. Intrinsically disordered protein-specific force field CHARMM36IDPSFF
  4. Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis
  5. Kink turn sRNA folding upon L7Ae binding using molecular dynamics simulations