Computational chemistry

Known as: Compchem, Computer Aided Chemistry, History of computational chemistry 
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical… (More)
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Highly Cited
2016
Highly Cited
2016
BindingDB, www.bindingdb.org, is a publicly accessible database of experimental protein-small molecule interaction data. Its… (More)
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Highly Cited
2011
Highly Cited
2011
Gabedit is a freeware graphical user interface, offering preprocessing and postprocessing adapted (to date) to nine computational… (More)
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Highly Cited
2008
Highly Cited
2008
There are now a wide variety of packages for electronic structure calculations, each of which differs in the algorithms… (More)
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Review
2008
Review
2008
The field of computational chemistry, particularly as applied to drug design, has become increasingly important in terms of the… (More)
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Review
2005
Review
2005
Internet technology offers an excellent opportunity for the development of tools by the cooperative effort of various groups and… (More)
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2005
2005
Evolving technologies, as exemplified by computational grids and Web services, have made it possible to solve new scientific… (More)
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Highly Cited
2001
Highly Cited
2001
A solution to get the problem off, have you found it? Really? What kind of solution do you resolve the problem? From what sources… (More)
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Highly Cited
2000
Highly Cited
2000
PASS (Putative Active Sites with Spheres) is a simple computational tool that uses geometry to characterize regions of buried… (More)
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1995
1995
parallel computing in computational chemistry. Book lovers, when you need a new book to read, find the book here. Never worry not… (More)
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Highly Cited
1993
Highly Cited
1993
This volume of Topics in Current Chemistry is devoted to “computer chemistry” which is still considered by some as a new area of… (More)
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