Very excited to share newly minted #SARSCoV2 paper from Dr. Dibakar Datta's Lab at New Jersey Institute of Technology in Springer Nature Digital's Journal of Materials Science-Computational Materials Design; we screened 3 ligands from a library(ZINC database) of 2.2 Millions data-points (ligand/protein complexes) by using multi-scale approach: #AMBER #VASP #AutoDock_Vina
https://link.springer.com/article/10.1007/s10853-022-07195-8
https://github.com/JayKayNJIT/covid19
Jatin Kashyap; Ph.D. Candidate;
Dept. of Mechanical & Industrial Engineering;
New Jersey Institute of Technology(NJIT); Newark, New Jersey, USA
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- https://www.linkedin.com/in/JayKayNJIT
- https://www.scholar.google.com/citations?user=vSPLiNwAAAAJ&hl=en
- https://www.jatinKASHYAPS.com
| Attachment | Size |
|---|---|
| PDF of the published paper. | 3.03 MB |