Multidimensional quantitative phenotypic and molecular analysis reveals neomorphic behaviors of p53 missense mutants

Autor: Anasuya Pal, Laura Gonzalez-Malerva, Seron Eaton, Chenxi Xu, Yining Zhang, Dustin Grief, Lydia Sakala, Lilian Nwekwo, Jia Zeng, Grant Christensen, Chitrak Gupta, Ellen Streitwieser, Abhishek Singharoy, Jin G. Park, Joshua LaBaer

Publikováno v: npj Breast Cancer, Vol 9, Iss 1, Pp 1-21 (2023)

Abstract Mutations in the TP53 tumor suppressor gene occur in >80% of the triple-negative or basal-like breast cancer. To test whether neomorphic functions of specific TP53 missense mutations contribute to phenotypic heterogeneity, we characterized p

Externí odkaz: https://doaj.org/article/a6acf0331a8a45b7b1b002a6026ce9c2

Mucin-mimetic glycan arrays integrating machine learning for analyzing receptor pattern recognition by influenza A viruses

Autor: Kamil Godula, Abhishek Singharoy, Pascal Gagneux, Matthew R. Naticchia, Meghan O. Altman, Taryn M. Lucas, Emi Sanchez, Chitrak Gupta

Publikováno v: Chem, vol 7, iss 12
Chem

Influenza A viruses (IAVs) exploit host glycans in airway epithelial mucosa to gain entry and initiate infection. Rapid detection of changes in IAV specificity towards host glycan classes can provide early indication of virus transmissibility and inf

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9ae726a5513d8aeba4ebf8196b9c3f0
https://doi.org/10.1016/j.chempr.2021.09.015

Charge Transfer and Chemo-Mechanical Coupling in Respiratory Complex I

Autor: Marilyn R. Gunner, Abhishek Singharoy, Chitrak Gupta, Umesh Khaniya, François Dehez, Christophe Chipot, Mrinal Shekhar, Chun Kit Chan, Leonid A. Sazanov

Publikováno v: Journal of the American Chemical Society
Journal of the American Chemical Society, American Chemical Society, 2020, 142 (20), pp.9220-9230. ⟨10.1021/jacs.9b13450⟩

The mitochondrial respiratory chain, formed by five protein complexes, utilizes energy from catabolic processes to synthesize ATP. Complex I, the first and the largest protein complex of the chain, harvests electrons from NADH to reduce quinone, whil

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cba359b4c1f876a8c92faea9702892bc
https://doi.org/10.1021/jacs.9b13450

Revealing a hidden intermediate of rotatory catalysis with X-ray crystallography and Molecular simulations

Autor: Takeshi Murata, Chitrak Gupta, Abhishek Singharoy, Kano Suzuki, Mrinal Shekhar

The mechanism of rotatory catalysis in ATP-hydrolyzing molecular motors remain an unresolved puzzle in biological energy transfer. Notwith standing the wealth of available biochemical and structural information inferred from years of experiments, kno

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::206f3ce63da06890125d3446308cdf4a
https://doi.org/10.1101/2021.12.07.471682

The ugly, bad, and good stories of large-scale biomolecular simulations

Autor: Chitrak Gupta, Daipayan Sarkar, D. Peter Tieleman, Abhishek Singharoy

Publikováno v: Current opinion in structural biology. 73

Molecular modeling of large biomolecular assemblies exemplifies a disruptive area holding both promises and contentions. Propelled by peta and exascale computing, several simulation methodologies have now matured into user-friendly tools that are suc

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f098fd6e50f21dabc0b310bb936713d
https://pubmed.ncbi.nlm.nih.gov/35245737