How to access the Database

PLAS-5k Database

New User:

If your are a new user please go ahead and sign up using your email and password or via 3rd party authenticator like Google, Facebook etc.

Old User:

If you are a returning member no need to create a new account and simply login in the authentication page. In case there are any error while signing up please contact us.


Advantages of the PLAS-5k Dataset

  • One of the first database with 5000 protein-ligand complexes generated using Molecular Dynamics simulation.
  • It also consists of energy components like van der Waals, Electrostatic, Polar, Non-polar solvational energy.
  • Our results showed good statistical correlation with the experimental results.
  • We were approximately able to find the binding affinity of the protein-ligand complexes for which the experimental values were unknown, thereby supplementing the existing dataset.


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