News tagged with journal of computational chemistry


Software speeds up molecular simulations

Software speeds up molecular simulations

Chemistry /

created Feb 04, 2009 | popularity 4 / 5 (1) | comments 0

(PhysOrg.com) -- Whether vibrating in place or taking part in protein folding to ensure cells function properly, molecules are never still. Simulating molecular motions provides researchers with information ...





Search results for journal of computational chemistry


Chemists develop Distributed Drug Discovery

Chemistry / Biochemistry

created Jun 15, 2009 | popularity not rated yet | comments 0

Researchers from Indiana University-Purdue University Indianapolis (IUPUI) have developed Distributed Drug Discovery (D3), a new low-cost strategy to accelerate the discovery of drugs to treat neglected diseases such as tuberculosis, ...


Researchers using parallel processing computing could save thousands by using an Xbox

Researchers using parallel processing computing could save thousands by using an Xbox

Technology / Computer Sciences

created Sep 11, 2009 | popularity 3.4 / 5 (23) | comments 21

(PhysOrg.com) -- A new study by a University of Warwick researcher has demonstrated that researchers trying to model a range of processes could use the power and capabilities of a particular XBox chip as a ...


Results promising for computational quantum chemical methods for drug development

Chemistry /

created Dec 20, 2007 | popularity 4 / 5 (1) | comments 0

New research, led by a Virginia Tech chemist, may someday help natural-products chemists decrease by years the amount of time it takes for the development of certain types of medicinal drugs. The research by T. Daniel Crawford, ...


Study points to new uses, unexpected side effects of already existing drugs

Study points to new uses, unexpected side effects of already existing drugs

Medicine & Health / Research

created Nov 04, 2009 | popularity 5 / 5 (3) | comments 0

Scientists at the University of North Carolina at Chapel Hill School of Medicine and the University of California, San Francisco have developed and experimentally tested a technique to predict new target diseases ...


How water forms where Earth-like planets are born

Space & Earth / Astronomy

created Dec 17, 2009 | popularity 4.9 / 5 (10) | comments 1

(PhysOrg.com) -- In a study that helps to explain the origins of water on Earth, University of Michigan astronomers have found that water vapor can form spontaneously in habitable zones of solar systems, and that it develops ...


Active sites of new enzymes

'Designer enzymes' created by chemists

Chemistry /

created Mar 19, 2008 | popularity 5 / 5 (25) | comments 3

Chemists from UCLA and the University of Washington have succeeded in creating "designer enzymes," a major milestone in computational chemistry and protein engineering.


A new method to cleaner and more efficient CO2 capture

A new method to cleaner and more efficient CO2 capture

Chemistry / Other

created Jul 22, 2009 | popularity 4.5 / 5 (11) | comments 61

(PhysOrg.com) -- Separating carbon dioxide from its polluting source, such as the flue gas from a coal-fired power plant, may soon become cleaner and more efficient.


Researchers make breakthrough in renewable energy materials

Nanotechnology / Nanomaterials

created May 29, 2008 | popularity 4.4 / 5 (74) | comments 0

University of Queensland researchers have made a ground-breaking discovery that produces highly efficient miniature crystals which could revolutionise the way we harvest and use solar energy.


Scientists Use Light to Control Proteins

Scientists Use Light to Control Proteins

Chemistry /

created Oct 16, 2008 | popularity 4.9 / 5 (12) | comments 1

A team of researchers from Penn State and the University of Texas Southwestern Medical Center has discovered a way to use light to control certain proteins that catalyze biochemical reactions. "This is one ...


Solving the Nuclear Pore Puzzle

Solving the Nuclear Pore Puzzle

Chemistry / Biochemistry

created Aug 19, 2009 | popularity not rated yet | comments 0

(PhysOrg.com) -- Computational biochemist Frank Alber compares determining the architecture of a macromolecular machine to solving a jigsaw puzzle.



List of search results for journal of computational chemistry