Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Eshani Chrisana Goonetilleke"'
Publikováno v:
The Journal of Physical Chemistry C. 125:18857-18865
Autor:
Xuhui Huang, Ilona Christy Unarta, Siqin Cao, Eshani Chrisana Goonetilleke, Kirill A. Konovalov
Publikováno v:
JACS Au
JACS Au, Vol 1, Iss 9, Pp 1330-1341 (2021)
JACS Au, Vol 1, Iss 9, Pp 1330-1341 (2021)
Markov state models (MSMs) based on molecular dynamics (MD) simulations are routinely employed to study protein folding, however, their application to functional conformational changes of biomolecules is still limited. In the past few years, the fiel
Publikováno v:
Nature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
Nature Communications
Nature Communications
Ice nucleation on the surface plays a vital role in diverse areas, ranging from physics and cryobiology to atmospheric science. Compared to ice nucleation in the bulk, the water-surface interactions present in heterogeneous ice nucleation complicate
Publikováno v:
Physical Chemistry Chemical Physics. 23:20117-20128
The ongoing pandemic caused by SARS-CoV-2 emphasizes the need for effective therapeutics. Inhibition of SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) by nucleotide analogs provides a promising antiviral strategy. One common group of RdRp inhibitors,
Autor:
Xiaoyan Zheng, Michael Ho-Yeung Chan, Alan Kwun-Wa Chan, Siqin Cao, Maggie Ng, Fu Kit Sheong, Chu Li, Eshani Chrisana Goonetilleke, William Wai Yan Lam, Tai-Chu Lau, Xuhui Huang, Vivian Wing-Wah Yam
Publikováno v:
Proceedings of the National Academy of Sciences. 119
Here, we report the use of an amphiphilic Pt(II) complex, K[Pt{(O3SCH2CH2CH2)2bzimpy}Cl] (PtB), as a model to elucidate the key role of Pt···Pt interactions in directing self-assembly by combining temperature-dependent ultraviolet-visible (UV-Vis)
Autor:
Eshani Chrisana Goonetilleke, Xin Gao, Xuhui Huang, Michael Alexander Suarez Vasquez, Jordy Homing Lam, Mingyi Xue
Fragment-based drug design plays an important role in the drug discovery process by reducing the complex small-molecule space into a more manageable fragment space. We leverage the power of deep learning to design ChemPLAN-Net; a model that incorpora
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a58c36773bd4f6db0ea662186c31476b
https://doi.org/10.1101/2021.08.08.455375
https://doi.org/10.1101/2021.08.08.455375
Autor:
Xin Gao, Wei Wang, Xuhui Huang, Guo Wang, Kirill A. Konovalov, Eshani Chrisana Goonetilleke, Dong Wang
Publikováno v:
The Journal of Biological Chemistry
RNA polymerase II (Pol II) surveils the genome, pausing as it encounters DNA lesions and base modifications and initiating signals for DNA repair among other important regulatory events. Recent work suggests that Pol II pauses at 5-carboxycytosine (5