Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Laurie Sarrat"'
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 2114
Quantum mechanics (QM) methods provide a fine description of receptor-ligand interactions and of chemical reactions. Their use in drug design and drug discovery is increasing, especially for complex systems including metal ions in the binding sites,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::32581c98d564b94af0d4c382ac7b7360
https://pubmed.ncbi.nlm.nih.gov/32016897
https://pubmed.ncbi.nlm.nih.gov/32016897
Publikováno v:
Methods in Molecular Biology ISBN: 9781071602812
Quantum mechanics (QM) methods provide a fine description of receptor-ligand interactions and of chemical reactions. Their use in drug design and drug discovery is increasing, especially for complex systems including metal ions in the binding sites,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e15b7733352459865fd19eb9ac4dbe2e
https://doi.org/10.1007/978-1-0716-0282-9_15
https://doi.org/10.1007/978-1-0716-0282-9_15
Autor:
Ewa I, Chudyk, Laurie, Sarrat, Matteo, Aldeghi, Dmitri G, Fedorov, Mike J, Bodkin, Tim, James, Michelle, Southey, Roger, Robinson, Inaki, Morao, Alexander, Heifetz
Publikováno v:
Methods in molecular biology (Clifton, N.J.). 1705
The understanding of binding interactions between any protein and a small molecule plays a key role in the rationalization of affinity and selectivity. It is essential for an efficient structure-based drug design (SBDD) process. FMO enables ab initio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0fb9bd9bc4e24cb6df1f361dce6f3e9f
https://pubmed.ncbi.nlm.nih.gov/29188563
https://pubmed.ncbi.nlm.nih.gov/29188563
Autor:
Ewa I. Chudyk, Laurie Sarrat, Matteo Aldeghi, Dmitri G. Fedorov, Mike J. Bodkin, Tim James, Michelle Southey, Roger Robinson, Inaki Morao, Alexander Heifetz
Publikováno v:
Methods in Molecular Biology ISBN: 9781493974641
G-protein-coupled receptors (GPCRs) have enormous physiological and biomedical importance, and therefore it is not surprising that they are the targets of many prescribed drugs. Further progress in GPCR drug discovery is highly dependent on the avail
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0bed0a9e61cc907dfc05b9a1e93d9f11
https://doi.org/10.1007/978-1-4939-7465-8_8
https://doi.org/10.1007/978-1-4939-7465-8_8
Autor:
Alexander Heifetz, Tim James, Michelle Southey, Inaki Morao, Dmitri G. Fedorov, Michael J. Bodkin, Matteo Aldeghi, Andrea Townsend-Nicholson, Laurie Sarrat
Publikováno v:
Current Opinion in Structural Biology
There has been fantastic progress in solving GPCR crystal structures. However, the ability of X-ray crystallography to guide the drug discovery process for GPCR targets is limited by the availability of accurate tools to explore receptor-ligand inter
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c36033e1f730186c6551fe7b89be4b52