PLAS
Binding affinity and other interaction Energies like Electrostatic, van Der Waals,
Polar and Non-polar are also included.
All the datas were derived by using Molecular Dynamics Simulation.
PLAS
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. This is done to keep record of total client accessing our database and a higher number of access will help us getting funds. Which in turn will enable us to continue the project.
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, no need to worry we will soon update the features for change of names.
Advantages of the PLAS-5k Dataset
- Probably the first database to be fully simulated with 5000 number of pdbids
- Not only Binding Affinity value is present but also other energetic component like polar and non-polar interaction, Vander Wall's interaction, Electrostatic interactions.
- Our results showed good statistical correlation with the experimental results.
- We were approximately able to find the Binding Energy of the proteins-ligand complexes for which the experimental values were unknown, thereby supplementing the exesting dataset.
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