29 citations · 33 across the 6 of their papers we have counts for
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q-bio.BM2021★ 2 cited
APObind: A Dataset of Ligand Unbound Protein Conformations for Machine Learning Applications in De Novo Drug Design
Rishal Aggarwal, Akash Gupta, U Deva Priyakumar
Protein-ligand complex structures have been utilised to design benchmark machine learning methods that perform important tasks related to drug design such as receptor binding site…
q-bio.BM2009★ 2 cited
Urea destabilizes RNA by forming stacking interactions and multiple hydrogen bonds with nucleic acid bases
U. Deva Priyakumar, Changbong Hyeon, D. Thirumalai +1
Urea titration of RNA by urea is an effective approach to investigate the forces stabilizing this biologically important molecule. We used all atom molecular dynamics simulations u…