Michael R. Probert
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View article: Crystallizing the Uncrystallizable: Insights from Extensive Screening of PROTACs
Crystallizing the Uncrystallizable: Insights from Extensive Screening of PROTACs Open
PROTACs are new drug molecules in the beyond Rule of Five (bRo5) chemical space with extremely poor aqueous solubility and intrinsically poor crystallizability due to their structure, which comprises two distinct ligands covalently linked …
View article: Studies on the epipolythiodioxopiperazine alkaloid verticillin D: Scaled production, streamlined purification, and absolute configuration
Studies on the epipolythiodioxopiperazine alkaloid verticillin D: Scaled production, streamlined purification, and absolute configuration Open
Verticillins, epipolythiodioxopiperazine alkaloids that were first described over 50 years ago, have undergone extensive cytotoxic and pharmacological evaluations over the last decade. However, of the 27 verticillin analogues in the litera…
View article: Polymorphic ROYalty: The 14th ROY Polymorph Discovered via High-Throughput Crystallization
Polymorphic ROYalty: The 14th ROY Polymorph Discovered via High-Throughput Crystallization Open
Polymorphism, when a substance can exist in more than one crystalline form yet return to the same liquid or solution phase, is characterized by differences in packing or molecular conformation. Polymorphs often exhibit differing physical p…
View article: High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery
High-throughput encapsulated nanodroplet screening for accelerated co-crystal discovery Open
A high-throughput nanoscale co-crystallisation approach is presented, that combines automation and small scale to enable the exploration of co-crystallisation conditions, resulting in 30 new binary, ternary and quaternary co-crystals.
View article: Polymorphic ROYalty: The 14th ROY Polymorph Discovered via High-Throughput Crystallization
Polymorphic ROYalty: The 14th ROY Polymorph Discovered via High-Throughput Crystallization Open
Polymorphism, when a substance can exist in more than one crystalline form yet return to the same liquid or solution phase, is characterized by differences in packing or molecular conformation. Polymorphs often exhibit differing physical p…
View article: The seventh blind test of crystal structure prediction: structure ranking methods
The seventh blind test of crystal structure prediction: structure ranking methods Open
A seventh blind test of crystal structure prediction has been organized by the Cambridge Crystallographic Data Centre. The results are presented in two parts, with this second part focusing on methods for ranking crystal structures in orde…
View article: Bioactivity-driven fungal metabologenomics identifies antiproliferative stemphone analogs and their biosynthetic gene cluster
Bioactivity-driven fungal metabologenomics identifies antiproliferative stemphone analogs and their biosynthetic gene cluster Open
Introduction Fungi biosynthesize chemically diverse secondary metabolites with a wide range of biological activities. Natural product scientists have increasingly turned towards bioinformatics approaches, combining metabolomics and genomic…
View article: Wheldone Revisited: Structure Revision Via DFT-GIAO Chemical Shift Calculations, 1,1-HD-ADEQUATE NMR Spectroscopy, and X-ray Crystallography Studies
Wheldone Revisited: Structure Revision Via DFT-GIAO Chemical Shift Calculations, 1,1-HD-ADEQUATE NMR Spectroscopy, and X-ray Crystallography Studies Open
Wheldone is a fungal metabolite isolated from the coculture of Aspergillus fischeri and Xylaria flabelliformis, displaying cytotoxic activity against breast, melanoma, and ovarian cancer cell lines. Initially, its structure was characteriz…
View article: Remote temperature-measurement instrumentation for a heated rotating turbine disk
Remote temperature-measurement instrumentation for a heated rotating turbine disk Open
Thermographic-phosphor (TP) remote temperature sensors were installed on a turbine disk and subjected to thermal and centrifugal stresses in a spin-pit test. The sensors were placed at three different radii on the disk, which was run at 66…
View article: CCDC 2308482: Experimental Crystal Structure Determination
CCDC 2308482: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2308480: Experimental Crystal Structure Determination
CCDC 2308480: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2308484: Experimental Crystal Structure Determination
CCDC 2308484: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2308483: Experimental Crystal Structure Determination
CCDC 2308483: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2308485: Experimental Crystal Structure Determination
CCDC 2308485: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2308481: Experimental Crystal Structure Determination
CCDC 2308481: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: A State of Independents: Rationalizing the High <i>Z</i>ˈ Crystal Structures of Shikimate Esters
A State of Independents: Rationalizing the High <i>Z</i>ˈ Crystal Structures of Shikimate Esters Open
Z' is a parameter used to denote the number of symmetry-independent molecules in the asymmetric unit of a crystal structure. High Z' (>1) crystal structures are relatively uncommon and are thought to arise through competition between inter…
View article: CCDC 2305192: Experimental Crystal Structure Determination
CCDC 2305192: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305202: Experimental Crystal Structure Determination
CCDC 2305202: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305198: Experimental Crystal Structure Determination
CCDC 2305198: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305201: Experimental Crystal Structure Determination
CCDC 2305201: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305193: Experimental Crystal Structure Determination
CCDC 2305193: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305199: Experimental Crystal Structure Determination
CCDC 2305199: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305195: Experimental Crystal Structure Determination
CCDC 2305195: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305196: Experimental Crystal Structure Determination
CCDC 2305196: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305200: Experimental Crystal Structure Determination
CCDC 2305200: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305194: Experimental Crystal Structure Determination
CCDC 2305194: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2305197: Experimental Crystal Structure Determination
CCDC 2305197: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …