no code implementations • 27 Mar 2023 • Zahra Shamsi, Diwakar Shukla
The molecular origins of proteins' functions are a combinatorial search problem in the proteins' sequence space, which requires enormous resources to solve.
no code implementations • 20 Nov 2022 • Zahra Shamsi, Drew Bryant, Jacob Wilson, Xiaoyu Qu, Avinava Dubey, Konik Kothari, Mostafa Dehghani, Mariya Chavarha, Valerii Likhosherstov, Brian Williams, Michael Frumkin, Fred Appelbaum, Krzysztof Choromanski, Ali Bashir, Min Fang
These individual chromosomes were used to train and assess deep learning models for classifying the 24 human chromosomes and identifying chromosomal aberrations.
1 code implementation • 2 Oct 2017 • Zahra Shamsi, Kevin J. Cheng, Diwakar Shukla
One of the key limitations of Molecular Dynamics simulations is the computational intractability of sampling protein conformational landscapes associated with either large system size or long timescales.
Biomolecules Biological Physics Chemical Physics