Quantcast
Last updated on April 20, 2014 at 17:20 EDT

Latest computational chemistry Stories

2014-02-18 23:26:44

Pharma, biotech firms now able to combine different chemical search methodologies. Cambridge, Mass. (PRWEB) February 18, 2014 Cambridge Semantics, the leading provider of Unified Information Access (UIA) solutions for enterprises, today announced it has partnered with ChemAxon to provide customers with advanced chemical search and visualization capabilities. ChemAxon’s products and services focus on adding functionality and value to chemistry information and provides cheminformatics...

2013-12-18 11:38:03

If scientists can control cellular functions such as movement and development, they can cripple cells and pathogens that are causing disease in the body. Supported by National Institutes of Health grants, researchers at Oak Ridge National Laboratory (ORNL), the University of Tennessee (UT), and the UT–ORNL Joint Institute for Computational Sciences (JICS) discovered a molecular “switch” in a receptor that controls cell behavior using detailed molecular dynamics simulations on a...

2013-11-07 23:33:36

MOLinstincts, a ChemEssen, Inc. company, brings a new chemical property database to the chemical engineering field that could revolutionize the market. With over 2.5 million chemical compounds, 46 sets of comprehensive thermo-physico-chemical property information, 2,000 plus sets of molecular descriptors, 20 sets of quantum information, 16 drug-related properties and 4 sets of analytical information per each compound, this sophisticated tool is unlike anything else currently in the...

2013-10-23 08:25:21

BUDAPEST, Hungary and CAMBRIDGE, Massachusetts, October 23, 2013 /PRNewswire/ -- ChemAxon, a leader in providing chemistry software solutions and consulting services for life science research, announces the release of JChem for Office, a unified series of chemistry functionality available directly within the Microsoft Office suite. The release sees the most advanced chemistry functionality now available for MS Office users. Key productivity features include: embedding...

2013-08-21 08:22:26

BUDAPEST, Hungary and TOKYO, August 21, 2013 /PRNewswire/ -- ChemAxon [http://www.chemaxon.com/#_blank ], a leader in providing chemistry software solutions and consulting services for life science research, and Patcore, a leading cheminformatics software and service company for pharmaceutical and life science industries, have agreed terms for the distribution of Patcore's CRAIS series of products globally excluding Japan. Patcore's CRAIS product series are a set of...

2013-07-11 08:23:35

UPLAND, Calif., July 11, 2013 /PRNewswire/ -- Applied Instrument Technologies, Inc. (AIT), a leading manufacturer of multi-component process analyzers has announced the appointment of Dr. James Brown to the position of Principal Scientist. Jim Brown comes to AIT following a successful long term tenure at ExxonMobil where he spent the past 35 years within the research and engineering group. As a Distinguished Research Associate at ExxonMobil, Jim was the team lead in molecular...

2013-07-09 08:30:01

NEW YORK and BUDAPEST, Hungary, July 9, 2013 /PRNewswire/ -- Schrodinger, Inc. and ChemAxon jointly announced today that they have extended their partnership agreement for another five years. In the expanded agreement, ChemAxon will provide the JChem chemistry engine as well as Marvin sketching and rendering functionality to Schrodinger's enterprise informatics platform, Seurat. "We're very excited to continue our partnership," said Schrodinger's President, Dr. Ramy Farid,...

2013-06-13 23:24:53

Cost effective, reliable, and power-efficient turnkey solution. (PRWEB) June 13, 2013 Silicon Mechanics, Inc. announces that it has launched a partnership with Acellera to assemble the MetroCubo hardware-software appliance for running Acellera´s ACEMD bio-molecular simulation software. The partnership with UK-based Acellera is part of Silicon Mechanics´ growing expertise in providing appliance design and development services. Conceived from the ground up as an optimized molecular...

2013-05-29 12:21:32

UPLAND, Calif., May 29, 2013 /PRNewswire/ -- Applied Instrument Technologies, Inc. (AIT), a leading manufacturer of multi-component process analyzers has announced the introduction of its model PIONIR® XTC fuels blending analyzer. PIONIR XTC is the next generation PIONIR Near Infrared Refinery Analyzer. The PIONIR XTC integrates a whole new electronics platform and the leading edge SpectraSuite(TM) of software. AIT's powerful and flexible SpectraRTS(TM) automates operation of the...

2013-03-14 17:52:46

RUB researchers give floppy molecule a structure through solvent effects How you get the chameleon of the molecules to settle on a particular "look" has been discovered by RUB chemists led by Professor Dominik Marx. The molecule CH5+ is normally not to be described by a single rigid structure, but is dynamically flexible. By means of computer simulations, the team from the Centre for Theoretical Chemistry showed that CH5+ takes on a particular structure once you attach hydrogen molecules....