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1. PPIS-MDPharma PPIS-MDPharma Public

   Obtain protein-protein interaction stabilizers from molecular dynamics simulation derived pharmacophores

   Python

2. Add-NME-ACE-residues-to-protein-terminal-residues Add-NME-ACE-residues-to-protein-terminal-residues Public

   Add NME and ACE chemical groups to protein terminal residues

   Python 8 2

3. undulation-corrected-density-for-lipid-bilayers undulation-corrected-density-for-lipid-bilayers Public

   The scripts here calculates transverse electron/mass density or neutron SLD for all-atom or Martini membrane systems. The code performs Undulation correction of larger membranes

   Python 1

4. Generate-silica-itp-file-Gromacs Generate-silica-itp-file-Gromacs Public

   The scripts in this repository creates Gromacs itp files for all-atom simulation of Silica in combination with AMBER force field. For Charmm slight change is required. Refer to the reference in des…

   Python 2

5. bio-phys/ForceFieldsMC3 bio-phys/ForceFieldsMC3 Public

   1