Kalyanashis Jana

Publication Activity (10 Years)

Years Active: 2017-2020
Publications (10 Years): 3

Top Topics

Molecular Dynamics Simulations

Artificial Neural Networks

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

John W. Vant, Shae-Lynn J. Lahey, Kalyanashis Jana, Mrinal Shekhar, Daipayan Sarkar, Barbara H. Munk, Ulrich Kleinekathöfer, Sumit Mittal, Christopher N. Rowley, Abhishek Singharoy
Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials. J. Chem. Inf. Model. 60 (5) (2020)
Shibaji Ghosh, Kalyanashis Jana, Bishwajit Ganguly
Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies. J. Comput. Aided Mol. Des. 32 (7) (2018)
Shibaji Ghosh, Nellore Bhanu Chandar, Kalyanashis Jana, Bishwajit Ganguly
Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies. J. Comput. Aided Mol. Des. 31 (8) (2017)