Zobrazeno 1 - 10
of 44
pro vyhledávání: '"Geoffrey P. F. Wood"'
Publikováno v:
Acta Crystallographica Section E: Crystallographic Communications, Vol 78, Iss 4, Pp 381-384 (2022)
Ceftibuten, C15H14N4O6S2, with the systematic name (6R,7R)-7-{[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, is a third generation, orally administered cephalosporin antibiot
Externí odkaz:
https://doaj.org/article/48d1a26a05da4915bab2a2279a75dfac
Autor:
Alon Grinberg Dana, Haoyang Wu, Gregory W. Sluggett, Todd Zelesky, Geoffrey P. F. Wood, Jason Mustakis, Duminda S. Ranasinghe, William H. Green, Frank C. Pickard
Publikováno v:
Molecular Pharmaceutics. 18:3037-3049
Stress testing of active pharmaceutical ingredients (API) is an important tool used to gauge chemical stability and identify potential degradation products. While different flavors of API stress testing systems have been used in experimental investig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20b9bd8634d72c0995f41b155960c232
https://doi.org/10.1021/acs.molpharmaceut.1c00261
https://doi.org/10.1021/acs.molpharmaceut.1c00261
Surface defects play a crucial role in the process of crystal growth, as incorporation of growth units generally takes place on undercoordinated sites on the growing crystal facet. In this work, we use molecular simulations to obtain information on t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::44f35b2579aae644810c4df048693a80
Autor:
Haoyang Wu, Alon Grinberg Dana, Duminda S. Ranasinghe, Frank C. Pickard, Geoffrey P. F. Wood, Todd Zelesky, Gregory W. Sluggett, Jason Mustakis, William H. Green
Publikováno v:
Molecular pharmaceutics. 19(5)
Gauging the chemical stability of active pharmaceutical ingredients (APIs) is critical at various stages of pharmaceutical development to identify potential risks from drug degradation and ensure the quality and safety of the drug product. Stress tes
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0faa7781488456a748c3134c01210a29
https://pubmed.ncbi.nlm.nih.gov/35435696
https://pubmed.ncbi.nlm.nih.gov/35435696
Autor:
Bruno C. Hancock, Shuhao Wen, Sun Guangxu, Chunwang Peng, Virginia M. Burger, Liu Yang, Ma Jian, Yide Alan Jiang, Eric Dybeck, Qun Zeng, Brian Samas, Peiyu Zhang, Michael A. Bellucci, Geoffrey P. F. Wood, Yingdi Jin, Mingjun Yang
Publikováno v:
Crystal Growth & Design. 20:5211-5224
Crystal structure prediction (CSP) calculations can reduce risk and improve efficiency during drug development. Traditionally CSP calculations use lattice energies computed through density function...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0e4b8308910fbe21bd850c6b82a9448a
https://doi.org/10.1021/acs.cgd.0c00422
https://doi.org/10.1021/acs.cgd.0c00422
Surface defects play a crucial role in the process of crystal growth, as the incorporation of growth units generally takes place on under-coordinated sites on the growing crystal facet. In this work, we use molecular dynamics simulations to obtain in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::747fd7f66a43308fc30b3f39311c0b15
https://doi.org/10.26434/chemrxiv-2021-01dfq-v2
https://doi.org/10.26434/chemrxiv-2021-01dfq-v2
Publikováno v:
Acta crystallographica. Section E, Crystallographic communications. 78(Pt 4)
Ceftibuten, C15H14N4O6S2, with the systematic name (6R,7R)-7-{[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, is a third generation, orally administered cephalosporin antibiot
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a9c2526ff2e0fa23fef6755d3db50349
https://pubmed.ncbi.nlm.nih.gov/35492283
https://pubmed.ncbi.nlm.nih.gov/35492283
Publikováno v:
Crystal Growth & Design. 19:6925-6934
Polymorphism can have a significant impact on important physical and chemical properties of pharmaceutical products. Empirical screening of polymorphs by using different solvent systems is often la...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4126dcb3c17b0c1bb8cd6d78546db0dd
https://doi.org/10.1021/acs.cgd.9b00576
https://doi.org/10.1021/acs.cgd.9b00576
Publikováno v:
Crystal Growth & Design. 19:6534-6541
The choice of solvent is key in the manufacturing of solution-grown crystals due to the critical effect it can exert on their morphology. Here we set out to investigate the dynamics and thermodynam...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f9c0689b2a894bd2da2b5144156c76ae
https://doi.org/10.1021/acs.cgd.9b00983
https://doi.org/10.1021/acs.cgd.9b00983
Autor:
Joseph F. Krzyzaniak, Lydie Louis, Bruno C. Hancock, Paul Meenan, Kapildev K. Arora, Ayana Ghosh, Serge Nakhmanson, Geoffrey P. F. Wood
Publikováno v:
CrystEngComm. 21:1215-1223
In the current report, three machine learning approaches were assessed for their ability to predict the crystallization propensities of a set of small organic compounds (
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::22c6fad64b21f0d7632b5164680ead9f
https://doi.org/10.1039/c8ce01589a
https://doi.org/10.1039/c8ce01589a