Jas Kalayan

Orcid: 0000-0002-6833-1864

According to our database1, Jas Kalayan authored at least 4 papers between 2021 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Dataset
Other 

Links

On csauthors.net:

Bibliography

2024
Molecular dynamics simulations as a guide for modulating small molecule aggregation.
J. Comput. Aided Mol. Des., December, 2024

A neural network potential based on pairwise resolved atomic forces and energies.
J. Comput. Chem., May, 2024

2021
Energy-entropy prediction of octanol-water logP of SAMPL7 N-acyl sulfonamide bioisosters.
J. Comput. Aided Mol. Des., 2021

Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge.
J. Comput. Aided Mol. Des., 2021


  Loading...