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. Author manuscript; available in PMC: 2012 Aug 7.
Published in final edited form as: Future Med Chem. 2011 Jun;3(8):1057–1085. doi: 10.4155/fmc.11.63

Table 7.

Major molecular dynamics programs used in drug design.

Name Developed by Free for academia Drug design applications Ref.
Amber University of California, San Francisco, USA No Human acetylcholinesterase inhibitors
HIV-1 reverse transcriptase inhibitors
[148]
[149]
CHARMM Harvard University, USA No Glucose binding to insulin
Flaviviral protease inhibitors
[150]
[39]
Desmond D. E. Shaw Research§ Yes
GROMACS University of Groningen, The Netherlands Yes Antiviral compounds for avian influenza neuraminidase [151]
NAMD University of Illinois, USA# Yes

See [268].

See [269].

§

See [270].

See [271].

#

See [272].

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