Molecular Simulations Inc., a subsidiary of Pharmacopeia, Inc., is a leading provider of molecular modeling, simulation, and informatics software to the world’s foremost pharmaceutical, biotechnology, and chemical R&D facilities. Using MSI’s software and services, researchers can organize and analyze scientific data, share biological and chemical information, and develop novel compounds, materials, and processes. MSI employs over 325 people, nearly half of whom are Ph.D. scientists. Company headquarters are in San Diego, California. Major regional operations are in Cambridge, England, and Tokyo, Japan.
MSI’s Technology
Industrial R&D organizations strive to accelerate product discovery and development, reduce costs, improve processes, and address environmental standards. Computer simulation helps to achieve these goals — guiding scientists to new solutions and focusing experiments on the most productive pathways. Molecular simulation is the most fundamental simulation strategy; it allows researchers to predict the structures and properties of chemicals, biological compounds, and materials. MSI’s software combines this technology with high quality graphics visualization and informatics tools that maximize the utility of chemical and genomic databases.
Founded in Science
MSI has established a reputation as the leader in the scientific development and commercial implementation of simulation methodologies. MSI’s commitment to scientific excellence is reflected in its investment in scientific staff. Nearly half of MSI’s staff are Ph.D. scientists who are recognized experts in computational chemistry, biology, physics, and computer science. This scientific background is combined with expertise in software engineering and design. In-house experience is reinforced through close relationship with leading academic institutions, such as the California Institute of Technology, the University of California at Berkeley, Harvard University, and the University of Yale, Cambridge, and York.
Partnership and Services
Development, validation, and application of MSI products are conducted in close collaboration with users. A hallmark of this collaboration is MSI’s Consortia, application-focused groups of industrial researchers, leading academics, and MSI staff who develop strategies to solve problems in specific areas of industrial relevance. MSI sponsors Consortia in Catalysis and Sorption, Pharmaceutical Development, Polymers, Potential Energy Functions, and Combinatorial Chemistry.
About Pharmacopeia, Inc.
Pharmacopeia is a leader in drug discovery combining three platform technologies: informatics, small molecule combinatorial chemistry, and high-throughput screening. Through its wholly-owned subsidiary, Molecular Simulations Inc. (MSI), Pharmacopeia develops and commercializes molecular modeling, simulation, and informatics software and services. Using ECLiPS, its proprietary combinatorial chemistry technology, Pharmacopeia has generated more than 4.2 million diverse, easily identifiable, small molecules. Pharmacopeia tests these molecules using state-of-the-art high-throughput screening. These technologies are integrated to support the following businesses:
1) selling predictive modeling, information management, and structure-based design software to the life and materials science marketplace,
2) licensing collections of compounds to pharmaceutical companies for evaluation in multiple drug discovery programs,
3) identifying and optimizing lead compounds for specific targets provided by customers, and
4) licensing drug development candidates developed in Pharmacopeia’s internal drug discovery programs to pharmaceutical companies.
| Contact Details: |
| 9685 Scranton Road |
| San Diego |
| CA |
| 92121 |
| United States of America |
| Tel: | 619 458 9990 |
| Fax: | 619 458 0136 |
| Email: | |
| WWW: | www.msi.com/
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Recent Publications by Molecular Simulations Incorporated: |  |
Modeling the multivalent recognition between dendritic molecules and DNA: understanding how ligand "sacrifice" and screening can enhance binding.
This paper reports the application of molecular dynamics methods to... | 26th September, 2009
| Molecular Simulations Engineering (MOSE) Laboratory, Department of
| J Am Chem Soc. 2009 Jul 22;131(28):9686-94.
DOI Direct Link |
Tetraethylammonium binding to the outer mouth of the KcsA potassium channel: implications for ion permeation.
Extracellular tetraethylammonium (TEA+) inhibits the current carried out... | 6th June, 2003
| INFM-Democritos Center for Molecular Simulations and International School
| J Recept Signal Transduct Res. 2002 Feb-Nov;22(1-4):315-31.
DOI Direct Link |
Facile Synthesis and Nonlinear Optical Properties of Push-Pull 5,15-Diphenylporphyrins.
A series of 5,15-diphenylporphyrinatonickel(II) derivatives containing... | 24th October, 2001
| Department of Chemistry, The Chinese University of Hong Kong, Shatin,
| J Org Chem. 1998 Oct 16;63(21):7143-7150.
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Hydrothermal Synthesis and Structure of a Potassium Tantalum Defect Pyrochlore.
The synthesis and crystal structure of potassium tantalate... | 24th October, 2001
| Institute of Materials Science, University of Connecticut, Storrs,
| Inorg Chem. 1998 Sep 7;37(18):4697-4701.
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Identification, display, and use of symmetry elements in atomic and electronic structure models.
Crystallographic symmetry plays an important role in structure... | 8th July, 2000
| Molecular Simulations,
| J Mol Graph Model. 1999 Oct-Dec;17(5-6):255-60, 325-8.
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→View more Molecular Simulations Incorporated research publications. |
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