High-throughput protein crystallography

Article Abstract:

High-throughput protein crystallography is discssed by a representative of the Quorum (UK). Large quantities of data, analyzed simultaneously, give new insights into protein-ligand interactions, speeding drug discovery. Molecular Simulations Inc. has a program called QUANTA, and such programs have advanced electron density fitting capabilities. Topics include improvements in structure determination, the goal of structural genomics, the informatics challenge, the HTC Consortium, and the future of protein structure determination.

Research, Innovations, Product information, Electric properties, Proteins, Crystallography, Computer simulation, Electrons, Molecular Simulations Inc.

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Consorting with the competition

Article Abstract:

Chemical companies involved in computational chemistry are setting up consortia so they can share strengths at the precompetitive stages of software development. Topics include strategies for software development, maintaining the competitive edge, and the Molecular Simulations Inc. (MSI) consortia.

United Kingdom, Management, Usage, Computer software industry, Software industry, Design and construction, Chemistry, Consortia, Molecular Simulations Ltd.

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Computational chemistry on the desktop PC

Article Abstract:

A brief history is presented on the emergence of computer programs enabling chemical researchers to create graphic molecular models. Companies and products highlighted include UNIX, Linux, Windows NT, O2 and Origin; their specific roles in computational chemistry are described.

Chemical engineering research, Chemical models

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