Zobrazeno 1 - 10
of 493
pro vyhledávání: '"and Arieh Warshel"'
Autor:
Mojgan Asadi, Arieh Warshel
Publikováno v:
Journal of the American Chemical Society. 145:1334-1341
This study analyzes the origin of enzyme catalysis by focusing on the reaction of orotidine 5'-phosphate decarboxylase (ODCase). This reaction involves an enormous catalytic effect of 23 kcal/mol that has been attributed to reactant state destabiliza
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d158834b5ae0f91afcd459148da3b235
https://doi.org/10.1021/jacs.2c11728
https://doi.org/10.1021/jacs.2c11728
Publikováno v:
Journal of the American Chemical Society. 144:16638-16646
A variety of diseases are associated with tyrosine kinase enzymes that activate many proteins via signal transduction cascades. The similar ATP-binding pockets of these tyrosine kinases make it extremely difficult to design selective covalent inhibit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c108893d4e13ed85e785a6d22d7cd2b
https://doi.org/10.1021/jacs.2c07307
https://doi.org/10.1021/jacs.2c07307
Publikováno v:
PLoS Computational Biology, Vol 15, Iss 5, p e1007021 (2019)
[This corrects the article DOI: 10.1371/journal.pcbi.1006503.].
Externí odkaz:
https://doaj.org/article/a821d2357023473fab18dc410cd07b67
Publikováno v:
PLoS Computational Biology, Vol 15, Iss 3, p e1006882 (2019)
Zinc is a vital trace element crucial for the proper function of some 3,000 cellular proteins. Specifically, zinc is essential for key physiological processes including nucleic acid metabolism, regulation of gene expression, signal transduction, cell
Externí odkaz:
https://doaj.org/article/6591785c224a4fc6986b2ea28de4d801
Publikováno v:
Journal of the American Chemical Society. 144:1251-1257
The cleavage of protein inside cell membranes regulates pathological pathways and is a subject of major interest. Thus, the nature of the coupling between the physical environment and the function of such proteins has recently attracted significant e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef78da73c9e51e461fa47205a40c5583
https://doi.org/10.1021/jacs.1c10494
https://doi.org/10.1021/jacs.1c10494
Autor:
Wen Jun Xie, Arieh Warshel
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America. 119(31)
Laboratory evolution combined with computational enzyme design provides the opportunity to generate novel biocatalysts. Nevertheless, it has been challenging to understand how laboratory evolution optimizes designer enzymes by introducing seemingly r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eceb1afe34c48f52b16de80e0510a2fb
https://pubmed.ncbi.nlm.nih.gov/35901204
https://pubmed.ncbi.nlm.nih.gov/35901204
Publikováno v:
PLoS Computational Biology, Vol 14, Iss 11, p e1006503 (2018)
Multiscale modeling provides a very powerful means of studying complex biological systems. An important component of this strategy involves coarse-grained (CG) simplifications of regions of the system, which allow effective exploration of complex sys
Externí odkaz:
https://doaj.org/article/5f1fe163e6e04cba8863a950558fc2d1
Publikováno v:
Journal of the American Chemical Society. 143:11044-11051
G-Protein-coupled receptors (GPCRs) belong to an important family of integral membrane receptor proteins that are essential for a variety of transmembrane signaling process, such as vision, olfaction, and hormone responses. They are also involved in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dec034d188759ada74367866b4fd24ff
https://doi.org/10.1021/jacs.1c03696
https://doi.org/10.1021/jacs.1c03696
Publikováno v:
The Journal of Physical Chemistry B. 124:11349-11356
Cysteine proteases play a major role in many life processes and are the target of key drugs. The reaction mechanism of these enzymes is a complex process, which involves several steps that are divided into two main groups: acylation and deacylation.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7e199aaf15a6af9919669ebc1c1b368
https://doi.org/10.1021/acs.jpcb.0c08192
https://doi.org/10.1021/acs.jpcb.0c08192
Publikováno v:
J Am Chem Soc
The COVID-19 pandemic has been a public health emergency with continuously evolving deadly variants around the globe. Among many preventive and therapeutic strategies, the design of covalent inhibitors targeting the main protease (M(pro)) of SARS-CoV
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7674d061746987eb15924e05325e51c3
https://pubmed.ncbi.nlm.nih.gov/35436404
https://pubmed.ncbi.nlm.nih.gov/35436404