Quantcast

Latest computational chemistry Stories

2010-09-21 20:56:06

The prediction of the structure and function of biological macromolecules (i.e., the machinery of life) is of foremost importance in the field of structural biology. Since the elucidation of the three-dimensional structure of DNA (the molecule that carries all genetic information) by Watson and Crick, scientists have strived to decipher the hidden code that determines the evolution of the spatial arrangement of these molecules towards their functional native state. Attempts to follow these...

2010-08-20 14:22:00

BUDAPEST, Hungary, August 20, 2010 /PRNewswire/ -- - More Predictions Added to Chemistry Browsing Service ChemAxon announces the addition of major new functionality in it's chemicalize.org web based service. The new features help users understand better the chemical structure with more predicted properties and a customizable layout to be of most use. chemicalize.org is a service to add chemistry and chemical information to a users web browsing experience by identifying...

4c0b87d943eb504c0a71f2863667a8211
2010-05-17 08:04:25

Using the NSF-funded Ranger supercomputer at the Texas Advanced Computing Center, Pengyu Ren is working to develop faster, cheaper ways to search for new drugs Most drugs enter our bodies as small molecules, ligands that bind to the surface of target proteins, inhibiting their function and protecting our health. For a drug to tame a headache or reduce a swollen knee, the drug needs to be effective at small doses, and selective enough to limit side effects. With so many medicines to choose...

2010-02-18 12:31:00

A new approach to optimizing molecular self-organization Some classes of molecules are capable of arranging themselves in specific patterns on surfaces. This ability to self-organize is crucial for many technological applications, which are dependend on the assembly of ordered structures on surfaces. However, it has so far been virtually impossible to predict or control the result of such processes. Now a group of researchers led by Dr. Bianca Hermann, a physicist from the Center for...

2010-01-22 09:00:00

BUDAPEST, Hungary, January 22 /PRNewswire/ -- - Pfizer Globally Licenses ChemAxon's Platform For Markush Structure Searching And Enumeration ChemAxon - a leading provider of cheminformatics software for the life sciences industry has entered into agreement with Pfizer to provide its Markush searching and structure enumeration functionality for global development and deployment within Pfizer's global R&D facilities. "Markush structure search and enumeration is becoming...

3ec45ffc1a44789812259284779dd6461
2010-01-05 15:00:41

With the passage of a molecule through the labyrinth of a chemical system being so critical to catalysis and other important chemical processes, computer simulations are frequently used to model potential molecule/labyrinth interactions. In the past, such simulations have been expensive and time-consuming to carry out, but now researchers with the Lawrence Berkeley National Laboratory (Berkeley Lab) have developed a new algorithm that should make future simulations easier and faster to...

2009-11-04 10:08:44

A theoretical physicist at the National Institute of Standards and Technology (NIST) has developed a method for calculating the motions and forces of thousands of atoms simultaneously over a wider range of time scales than previously possible. The method overcomes a longstanding timing gap in modeling nanometer-scale materials and many other physical, chemical and biological systems at atomic and molecular levels. The new mathematical technique* can significantly improve modeling of...

2009-07-16 11:51:00

BUDAPEST, July 16 /PRNewswire/ -- - Introductory Webinar, July 21st, 11am EDT - End User Workshop at US User Group Meeting; September 15-16, San Diego, CA ChemAxon, a software solutions provider for cheminformatics, today announced the launch of JChem for Excel. The add-in for Microsoft Excel(R) brings all of the capabilities and performance of the JChem and Marvin platform to Excel(R) users. The product will be introduced at a free webinar on July 21st and Workshop at the US...

2009-04-29 15:33:00

PITTSBURGH, April 29 /PRNewswire-USNewswire/ -- High school and undergraduate students now have a ringside seat to watch atoms and molecules in super-slow motion and vivid color, as they jostle and bump each other within the cozy environs of a human cell or a beaker on a lab bench. In "Big Numbers in Small Spaces: Simulating Atoms, Molecules and Brownian Motion," students are invited to consider how many molecules are in a single drop of water, or a single cell, and then to fly in and find...

2009-04-15 04:38:00

BUDAPEST, Hungary, April 15 /PRNewswire/ -- ChemAxon, a software solutions provider for cheminformatics today announced the launch of version 5.2 of their cheminformatics toolkits, Marvin & JChem. The release sees many new functionalities added, new integration options and improvements in search performance. Marvin & JChem is a software suite of application programming interfaces (API's) and graphic user interfaces (GUI's) used by life science informatics architects and...


Word of the Day
bodacious
  • Remarkable; prodigious.
  • Audacious; gutsy.
  • Completely; extremely.
  • Audaciously; boldly.
  • Impressively great in size; enormous; extraordinary.
This word is probably from the dialectal 'boldacious,' a blend of 'bold' and 'audacious.'
Related