71 citations · 95 across the 9 of their papers we have counts for
9 papers
Transferring a molecular foundation model for polymer property predictions
Pei Zhang, Logan Kearney, Debsindhu Bhowmik +3
Transformer-based large language models have remarkable potential to accelerate design optimization for applications such as drug development and materials discovery. Self-supervis…
ProtTrans: Towards Cracking the Language of Life's Code Through Self-Supervised Deep Learning and High Performance Computing
Ahmed Elnaggar, Michael Heinzinger, Christian Dallago +9
Computational biology and bioinformatics provide vast data gold-mines from protein sequences, ideal for Language Models taken from NLP. These LMs reach for new prediction frontiers…
DeepDriveMD: Deep-Learning Driven Adaptive Molecular Simulations for Protein Folding
Hyungro Lee, Heng Ma, Matteo Turilli +3
Simulations of biological macromolecules play an important role in understanding the physical basis of a number of complex processes such as protein folding. Even with increasing c…
Deep Generative Model Driven Protein Folding Simulation
Heng Ma, Debsindhu Bhowmik, Hyungro Lee +4
Significant progress in computer hardware and software have enabled molecular dynamics (MD) simulations to model complex biological phenomena such as protein folding. However, enab…
A comparative study of solvent dynamics in Choline Bromide aqueous solution using combination of neutron scattering technique and molecular dynamics simulation
Debsindhu Bhowmik
A comparative study between Choline and Tetra-methyl ammonium bromide is presented here. Choline which is a crucial component for our dietary requirements causes many diseases if t…
Deep diving into the comparative study of Choline dynamics using molecular dynamics simulation and neutron scattering technique
Debsindhu Bhowmik
We present here the comparative study between the dynamics Choline and Tetra-methyl ammonium bromide. This is well known that deficiency in Choline would cause many severe diseases…