Zobrazeno 1 - 6
of 6
pro vyhledávání: '"Humanath Poudel"'
Publikováno v:
Entropy, Vol 24, Iss 7, p 998 (2022)
Activation of G-protein-coupled receptors (GPCRs) is mediated by molecular switches throughout the transmembrane region of the receptor. In this work, we continued along the path of a previous computational study wherein energy transport in the β2 A
Externí odkaz:
https://doaj.org/article/c1cb972197224fd2b782ae56eaf2c78e
Autor:
Humanath Poudel, David M. Leitner
Publikováno v:
The Journal of Physical Chemistry B. 126:8362-8373
We compute energy exchange networks (EENs) through glucagon-like peptide-1 receptor (GLP-1R), a class B G-protein-coupled receptor (GPCR), in inactive and two active states, one activated by a peptide ligand and the other by a small molecule agonist,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4447d1736b8fc892bb8611ea08f8d634
https://doi.org/10.1021/acs.jpcb.2c03960
https://doi.org/10.1021/acs.jpcb.2c03960
Autor:
Hamid Hadi-Alijanvand, Luisa Di Paola, Guang Hu, David M. Leitner, Gennady M. Verkhivker, Peixin Sun, Humanath Poudel, Alessandro Giuliani
Publikováno v:
ACS Omega. 7:17024-17042
At the center of the SARS-CoV2 infection, the spike protein and its interaction with the human receptor ACE2 play a central role in the molecular machinery of SARS-CoV2 infection of human cells. Vaccine therapies are a valuable barrier to the worst e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b36d11382c3b402c3bb8201404bf77d8
https://doi.org/10.1021/acsomega.2c00154
https://doi.org/10.1021/acsomega.2c00154
Autor:
Humanath Poudel, David M. Leitner
Publikováno v:
The Journal of Physical Chemistry B. 125:6522-6531
We compute energy exchange networks (EENs) through the β2 adrenergic receptor (β2AR), a G-protein coupled receptor (GPCR), in inactive and active states, based on the results of molecular dynamics simulations of this membrane bound protein. We intr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cb14a88e0961d263220026401d39bf18
https://doi.org/10.1021/acs.jpcb.1c03412
https://doi.org/10.1021/acs.jpcb.1c03412
Publikováno v:
The Journal of Physical Chemistry B. 124:9852-9861
Molecular dynamics simulations of the villin headpiece subdomain HP36 have been carried out to examine relations between rates of vibrational energy transfer across non-covalently bonded contacts and equilibrium structural fluctuations, with focus on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::faa66fddbd46931fad60441ac7363c07
https://doi.org/10.1021/acs.jpcb.0c08091
https://doi.org/10.1021/acs.jpcb.0c08091
Autor:
Humanath Poudel, David M. Leitner
Publikováno v:
The Journal of Chemical Physics. 158:015101
Determining rates of energy transfer across non-covalent contacts for different states of a protein can provide information about dynamic and associated entropy changes during transitions between states. We investigate the relationship between rates
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::45dd4ba056e3528b20336847f9715fb6
https://doi.org/10.1063/5.0132089
https://doi.org/10.1063/5.0132089