A million crystal structures: The whole is greater than the sum of its parts

R Taylor, PA Wood - Chemical reviews, 2019 - ACS Publications
… the million or so crystal structures in the database was solved for its own particular reason,
but collected together, the structures … The CSD also aids the solution of new crystal structures. …

The Cambridge Structural Database: a quarter of a million crystal structures and rising

FH Allen - Acta Crystallographica Section B: Structural Science, 2002 - journals.iucr.org
… a quarter of a million small-molecule crystal structures. The … CCDC acts as the official crystal
structure data depository for 51 … contain at least 500000 crystal structures by the year 2010. …

[HTML][HTML] New insights and innovation from a million crystal structures in the Cambridge Structural Database

JC Cole, S Wiggin, F Stanzione - Structural Dynamics, 2019 - pubs.aip.org
… Of these, 70 have an exact match to a crystal structure in the CSD. Small molecule structures
are … We look forward to the next million structures and the insights they will provide. …

One in half a million: a solid form informatics study of a pharmaceutical crystal structure

PTA Galek, E Pidcock, PA Wood, IJ Bruno… - CrystEngComm, 2012 - pubs.rsc.org
… a crystal form; described inclusively as Solid Form Informatics. This approach is exemplified
using the recently published crystal structure … analysis of any crystal structure and paves the …

Introduction to the Cambridge Structural Database–a wealth of knowledge gained from a million structures

SC Ward, G Sadiq - CrystEngComm, 2020 - pubs.rsc.org
… Another direction is in the breadth of data: we can see a world where crystal structures have
more information associated with them, allowing a broader range of use. This should lead to …

IL MILIONE: a suite of computer programs for crystal structure solution of proteins

MC Burla, R Caliandro, M Camalli… - Journal of Applied …, 2007 - journals.iucr.org
… IL MILIONE12 is a suite of computer programs devoted to protein crystal structure … the
millions of marvels seen during the travel. Most contemporaries thought that they were a million

An asymmetric carceplex and new crystal structure yield information regarding a 1 million-fold template effect

JR Fraser, B Borecka, J Trotter… - The Journal of Organic …, 1995 - ACS Publications
… asymmetric carceplex and the facilitation of the determination of the crystal structure of a …
The crystal structure reveals the extensive conjugation of the aryl ethers into the aromatic rings …

Computed crystal energy landscapes for understanding and predicting organic crystal structures and polymorphism

SSL Price - Accounts of chemical research, 2009 - ACS Publications
… resulting crystal structure, but how do we understand crystallization well enough to form a …
model for predicting this structure? A few decades ago, most organic crystal structures were …

[HTML][HTML] Predicting crystal structures of organic compounds

SL Price - Chemical Society Reviews, 2014 - pubs.rsc.org
… These programs can also handle very flexible molecules, and multi-component systems,
where the search may be terminated for practical reasons at over a million plausible structures. …

Crystal structure of a pivotal domain of human syncytin-2, a 40 million years old endogenous retrovirus fusogenic envelope gene captured by primates

M Renard, PF Varela, C Letzelter, S Duquerroy… - Journal of molecular …, 2005 - Elsevier
… The structure of the syncytin-2 protein thus provides a good … the crystal structure of a central
fragment of its “fossil” ectodomain, allowing a remarkable superposition with the structures of …