Zobrazeno 1 - 10
of 39
pro vyhledávání: '"Francois Berenger"'
Autor:
Shogo Taniguchi, Francois Berenger, Yukako Doi, Ayana Mimura, Yoshihiro Yamanishi, Tsukasa Okiyoneda
Publikováno v:
Frontiers in Pharmacology, Vol 15 (2024)
Cystic fibrosis (CF) is a monogenetic disease caused by the mutation of CFTR, a cAMP-regulated Cl− channel expressing at the apical plasma membrane (PM) of epithelia. ∆F508-CFTR, the most common mutant in CF, fails to reach the PM due to its misf
Externí odkaz:
https://doaj.org/article/2346a245720c4578b737a17b1470e10a
Autor:
Francois Berenger, Koji Tsuda
Publikováno v:
Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-10 (2021)
Abstract Background In recent years, in silico molecular design is regaining interest. To generate on a computer molecules with optimized properties, scoring functions can be coupled with a molecular generator to design novel molecules with a desired
Externí odkaz:
https://doaj.org/article/5439dd3838a54210ab3db8f99d806114
Publikováno v:
Journal of Cheminformatics, Vol 11, Iss 1, Pp 1-13 (2019)
Abstract Background OCaml is a functional programming language with strong static types, Hindley–Milner type inference and garbage collection. In this article, we share our experience in prototyping chemoinformatics and structural bioinformatics so
Externí odkaz:
https://doaj.org/article/f62bb7266836481d89164b177e9b8300
Publikováno v:
Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-13 (2017)
Abstract Background In ligand-based virtual screening experiments, a known active ligand is used in similarity searches to find putative active compounds for the same protein target. When there are several known active molecules, screening using all
Externí odkaz:
https://doaj.org/article/7ac384e0de5b43dbbb9b42f4dae13002
Publikováno v:
F1000Research, Vol 6 (2018)
Protein modeling and design activities often require querying the Protein Data Bank (PDB) with a structural fragment, possibly containing gaps. For some applications, it is preferable to work on a specific subset of the PDB or with unpublished struct
Externí odkaz:
https://doaj.org/article/06df4d9f09d74144929801b9142337ca
Publikováno v:
F1000Research, Vol 6 (2017)
Protein modeling and design activities often require querying the Protein Data Bank (PDB) with a structural fragment, possibly containing gaps. For some applications, it is preferable to work on a specific subset of the PDB or with unpublished struct
Externí odkaz:
https://doaj.org/article/bf60b44502ed43db97d294bb5c4e907c
Publikováno v:
PLoS ONE, Vol 8, Iss 10, p e75762 (2013)
One of the underlying principles in drug discovery is that a biologically active compound is complimentary in shape and molecular recognition features to its receptor. This principle infers that molecules binding to the same receptor may share some c
Externí odkaz:
https://doaj.org/article/ec45505f8aa64ca6afd98e438ef509d8
Publikováno v:
PLoS ONE, Vol 7, Iss 7, p e38799 (2012)
Conformational sampling is one of the bottlenecks in fragment-based protein structure prediction approaches. They generally start with a coarse-grained optimization where mainchain atoms and centroids of side chains are considered, followed by a fine
Externí odkaz:
https://doaj.org/article/ac0972fe533943f886e4f1d6b9473e36
Publikováno v:
PLoS ONE, Vol 7, Iss 10 (2012)
Externí odkaz:
https://doaj.org/article/35865cf1b0524b0fa56686dfb2f3e206
Publikováno v:
ACS Medicinal Chemistry Letters. 14:577-582