A million crystal structures: The whole is greater than the sum of its parts
R Taylor, PA Wood - Chemical reviews, 2019 - ACS Publications
The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …
reaped dividends in numerous and diverse areas of chemical research. Each of the million …
Conformational polymorphism
AJ Cruz-Cabeza, J Bernstein - Chemical reviews, 2014 - ACS Publications
The century following the determination of the first crystal structure by the Braggs 1 has
yielded encyclopedic precise information on molecular geometry. The interatomic distances …
yielded encyclopedic precise information on molecular geometry. The interatomic distances …
Broadly tunable atmospheric water harvesting in multivariate metal–organic frameworks
Development of multivariate metal–organic frameworks (MOFs) as derivatives of the state-of-
art water-harvesting material MOF-303 {[Al (OH)(PZDC)], where PZDC2–is 1 H-pyrazole-3, 5 …
art water-harvesting material MOF-303 {[Al (OH)(PZDC)], where PZDC2–is 1 H-pyrazole-3, 5 …
Mercury 4.0: From visualization to analysis, design and prediction
CF Macrae, I Sovago, SJ Cottrell, PTA Galek… - Applied …, 2020 - journals.iucr.org
The program Mercury, developed at the Cambridge Crystallographic Data Centre, was
originally designed primarily as a crystal structure visualization tool. Over the years the fields …
originally designed primarily as a crystal structure visualization tool. Over the years the fields …
Current developments in Coot for macromolecular model building of Electron Cryo‐microscopy and Crystallographic Data
Coot is a tool widely used for model building, refinement, and validation of macromolecular
structures. It has been extensively used for crystallography and, more recently …
structures. It has been extensively used for crystallography and, more recently …
BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design
Targeting subunits of BAF/PBAF chromatin remodeling complexes has been proposed as an
approach to exploit cancer vulnerabilities. Here, we develop proteolysis targeting chimera …
approach to exploit cancer vulnerabilities. Here, we develop proteolysis targeting chimera …
RCSB Protein Data Bank: Celebrating 50 years of the PDB with new tools for understanding and visualizing biological macromolecules in 3D
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB), funded by the US National Science Foundation, National Institutes of Health, and …
PDB), funded by the US National Science Foundation, National Institutes of Health, and …
The Cambridge structural database
The Cambridge Structural Database (CSD) contains a complete record of all published
organic and metal–organic small-molecule crystal structures. The database has been in …
organic and metal–organic small-molecule crystal structures. The database has been in …
A practical guide to the design of molecular crystals
MK Corpinot, DK Bucar - Crystal Growth & Design, 2018 - ACS Publications
This Tutorial Review, aimed at both the novice and the seasoned solid-state chemist,
provides a succinct overview of key findings that have, over the last half century, advanced …
provides a succinct overview of key findings that have, over the last half century, advanced …
[PDF][PDF] Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman… - … Section B: Structural …, 2016 - journals.iucr.org
The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with
five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a …
five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a …