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Chemistry World March 27, 2013 Akshat Rathi |
Molecular cages to end crystallization nightmare X-ray crystallography has shaped modern chemistry. It is a powerful tool for molecular structural analysis. But it suffers from one big drawback: it can only analyze materials that form well-defined crystals. This may now be about to change.  |
HHMI Bulletin Spring 2013 Nicole Kresge |
A Structural Toolbox Natalie Strynadka wants to design a better antibiotic. Her strategy: learn about the molecules bacteria use to invade cells. Her tool: structural biology.  |
Chemistry World October 17, 2011 Andy Extance |
Water erodes 'lock and key' drug model US researchers have dealt a severe blow to the idea of a single 'hydrophobic effect' that can help explain how all drugs dock with proteins.  |
Chemistry World July 15, 2014 Richard Cooper |
Phasing in crystallography: a modern perspective Phasing in crystallography has its origins in Carmelo Giacovazzo's monograph Direct phasing in crystallography, but with a broader coverage of the range of modern phasing methods.  |
Chemistry World June 2010 |
Column: The crucible Philip Ball welcomes the age of automated chemical crystallography  |
Chemistry World October 2008 Derek Lowe |
Column: In the pipeline The author seeks a cure for 'compound bloat'  |
Chemistry World December 5, 2012 Neil Withers |
We don't need no intuition US scientists have developed a way to solve crystal structures that combines powerful computational methods with data from experiments or databases -- but that does not require much human input.  |
Chemistry World March 19, 2013 Ilia Guzei |
OLEX2 v1.2.1 OLEX2 is a program for small-molecule structure solution, refinement and the preparation of publication material in the field of single-crystal x-ray crystallography.  |
Chemistry World September 6, 2010 Phillip Broadwith |
Are you sure that structure is right? UK chemists have developed a computer program that can work out how likely a chemical structure is to be correct, or identify the right structure from a range of possibilities.  |
HHMI Bulletin Winter 2013 Nicole Kresge |
A Structural Revolution Over the years, scientists and artists have used an assortment of techniques to showcase molecular structure.  |
Chemistry World February 13, 2014 Philip Ball |
Ice core to antifreeze protein's inner workings The antifreeze protein that protects the winter flounder from sub-zero temperatures has been found to have an odd structure.  |
Chemistry World June 12, 2013 Kirsty Muirhead |
An end to chasing molecules that were never there? Ariel Sarotti from the Rosario National University, Argentina, has developed a new, computationally inexpensive method combining calculated and experimental 13C NMR data to flag up incorrect structures.  |
Reactive Reports Issue 51 David Bradley |
Protein Crystals Trapped Researchers have developed a new technique for crystallizing proteins, which could open up a whole range of materials to this powerful analytical technique.  |
Bio-IT World November 19, 2004 Kevin Davies |
De-Lovely Pharmaceuticals De Novo Pharmaceuticals identifies novel compounds right before your eyes.  |
Chemistry World August 2007 Derek Lowe |
Opinion: In the Pipeline Process chemists just don't get the credit they deserve.  |
Bio-IT World October 10, 2003 Jeffrey Skolnick |
Protein Structure Prediction in Drug Discovery Indications are that structure prediction can assist in the automated assignment of proteins to known pathways.  |
Chemistry World August 1, 2010 Mike Brown |
Snapshots of mystery molecular structures Researchers have used atomic force microscopy to produce clear molecular images that can help determine the correct atomic structure of unknown organic molecules.  |
Chemistry World October 6, 2015 Colin Groom |
A story of structure For chemists, the Cambridge Structural Database is part of the furniture. It contains data for every small molecule crystal structure ever determined -- over 750,000 of them  |
Chemistry World April 2007 Derek Lowe |
Opinion: In the Pipeline Natural products can be ridiculously complicated. The sheer difficulty of the enterprise is traditionally what made pharmaceutical companies hire people who had worked in total synthesis. But, is total synthesis research still worth the effort?  |
Bio-IT World October 9, 2002 Tracy Smith Schmidt |
Banking on Structures An explosion of structural information is on the horizon, and the Protein Data Bank --- the single international repository for data on the three-dimensional structures of biomolecules -- is ready.  |
Chemistry World November 30, 2007 Lewis Brindley |
Crystal Clear Structure Prediction One team of researchers has hit the jackpot by correctly predicting the crystal structures of four organic molecules in a competition organized by the University of Cambridge.  |
Chemistry World December 5, 2007 Ananyo Bhattacharya |
Structural Snapshot Shows Monster Protein A structural snapshot of a protein capsule has revealed details of the largest cellular component ever imaged by x-ray crystallography.  |
Chemistry World November 7, 2012 Ian Le Guillou |
Coral animal chemical structures solved A combination of atomic force microscopy and computational techniques have been used to solve the unusual structures of two natural products from the Arctic coral-like animal, Thuiaria breitfussi.  |
Reactive Reports Issue 63 David Bradley |
Chemists Go Round the Bend Chemists often think of molecular wires as "shape-persistent" rods with limited flexibility, but researchers have now shown that molecular wires can be bent into ring shapes.  |
Chemistry World December 2008 |
Column: In the pipeline I've worked on two drug discovery efforts (one right after the other, as fate would have it) whose final compounds differed by essentially one methyl group from the starting points of each project.  |
| Industrial Physicist |
Biomimetic Nanotechnology Although biomimetic nanotechnology is in its infancy, with no applications yet reaching commercialization, the barriers in some cases lie mainly in scaling up production processes to industrial levels.  |
Chemistry World May 2, 2007 Michael Gross |
Protein Printboard Chemists in the Netherlands have created nanoscale structures that can immobilize proteins with exquisite control over specificity, strength and orientation.  |
Bio-IT World June 12, 2002 Karen Hopkin |
Computational Biologists Join the Fold CASP5 competitors compare the best algorithms for modeling the 3-D structure of proteins -- an exercise that could lead to new insights into the pathogenesis and treatment of disease.  |
Chemistry World September 30, 2009 Simon Haddlington |
Porous networks trap reactive intermediates Chemists in Japan have shown how it is possible to take sequential x-ray snapshots of chemical reactions taking place within molecular-sized 'reaction chambers', capturing the crystal structures of short-lived reactive intermediates.  |
Chemistry World July 26, 2012 Derek Lowe |
Screen shots You might not think that the makeup of a compound screening collection could set off many arguments, but there are a few issues there that will do the trick almost every time.  |
Reactive Reports Apr/May 2005 David Bradley |
At Last, the Structure of DNA Researchers have made a significant advance in our understanding of life's main molecule, using X-ray crystallography to determine the three-dimensional structures of nearly all the possible sequences of a macromolecule.  |
Chemistry World February 8, 2006 Jon Evans |
To Boldly go Where no Chemist Has Gone Before Studying the interactions between different molecular fragments is taking researchers to the uncharted regions of chemical space.  |
Chemistry World November 14, 2014 Laura Fisher |
Will it crystallize? Scientists have developed a machine learning approach to predict whether a small organic molecule will be able to crystallize.  |
Chemistry World August 2009 Derek Lowe |
Column: In the pipeline The author considers what makes a good looking drug molecule - and how beauty is in the eye of the beholder  |
Chemistry World August 25, 2011 Fiona McKenzie |
Poking Aspirin with a Sharp Stick Scientists have found a way to go one better than x-ray crystallography to examine pharmaceutical crystals at an even deeper level.  |
Chemistry World October 31, 2014 |
X marks the structure From single crystals to powders and even proteins, there's a diffractometer for every structure.  |
Chemistry World June 1, 2012 Derek Lowe |
Peace, love and understanding You'd think that the chemists and biologists working in drug discovery would understand each other pretty well by now. You would be wrong about that.  |
Chemistry World June 2008 Sarah Houlton |
Breaking the rules The author finds out about some chemical tricks that can give a new drug the best possible odds of success  |
Chemistry World May 20, 2014 Andy Extance |
Mechanism study seeks to clear 'crystalline flask' cloud The Japanese chemists behind a controversial x-ray crystallography method have used it to study a poorly-understood reaction mechanism for the first time.  |
Chemistry World January 17, 2007 Richard Van Noorden |
Molecular Magnets of Mystery Researchers have discovered a new class of molecular magnets which work above room temperature. But why the magnets work, and what their structures are, remains a perplexing mystery.  |
Chemistry World June 23, 2015 Philip Ball |
Ultra-bright x-rays film molecular reaction A team working at the Stanford Linear Collider in California claims to have made 'the first molecular movie' using ultra-fast x-ray scattering from molecules as they undergo a chemical reaction.  |
Chemistry World July 3, 2014 Tami Spector |
Of atoms and aesthetics Molecular aesthetics means many things to a few people. For some it means tangible aspects of compounds; for others yet, the ways that chemists represent molecules.  |
Chemistry World April 30, 2007 Victoria Gill |
Amyloid Protein Seen to Zip Together Amyloid proteins' long, complicated structure makes them tricky to study, but U.S. researchers have found that they share a common feature that could provide a drug target for an array of incurable conditions.  |
Chemistry World March 4, 2015 Philip Ball |
Program ready to weed out tough drug leads A method for reliably predicting how well a candidate drug molecule will bind to its target receptor would allow libraries of molecules to be screened on the computer, without having to synthesize them all.  |
Chemistry World June 23, 2015 Derek Lowe |
Missing the target There are enzymes that no mustard has ever cut, to steal a phrase from science fiction author James Blish. Phosphatases, the flip side of kinase activity, are a perfect example.  |
Chemistry World October 27, 2014 Tim Wogan |
Folding rules used to build unnatural proteins Scientists in the UK and US have designed and synthesized unnatural protein structures, using theoretical calculations to explore the factors affecting protein folding and stability.  |
Chemistry World December 2007 Derek Lowe |
Column: In the Pipeline The challenge of biologics.  |
Bio-IT World June 12, 2002 Mark D. Uehling |
Putting Proteins in Their Place Will a 'periodic table' of proteins help classify the ungainly beasts?  |
Chemistry World July 6, 2012 |
Protein power Tom Muir, professor of chemistry and molecular biology, Princeton University, US, is an expert in protein engineering and its application to studying cellular signalling networks.  |
Chemistry World June 2008 |
Column: In the pipeline The author, a medicinal chemist working on preclinical drug discovery, takes a look at the differences between chemists and biologists working on the same team.  |