SOFTWARE DEVELOPMENT TO CONVERT TOPOLOGY FILES FROM AMBER TO GROMACS FORMAT

$1,772P41FY2011RRNIH

University Of Georgia, Athens GA

Investigators

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Paper 39401784 Paper 39287665 Paper 36725887 Paper 36633947 Paper 34352038 Paper 33526784 Paper 33406123 Paper 32921792 Paper 32198425 Paper 31829419 Paper 27713587 Paper 27478429 Paper 26610890 Paper 26575439 Paper 26391208 Paper 26216389 Paper 25752613 Paper 25544777 Paper 25530813 Paper 25419191 Paper 25339852 Paper 25325980 Paper 25096878 Paper 24862406 Paper 24748467 Paper 24355925 Paper 24155237 Paper 24129959 Paper 24052805 Paper 23994753 Paper 23888036 Paper 23733943 Paper 23689369 Paper 23663982 Paper 23649490 Paper 23578692 Paper 23370908 Paper 23357427 Paper 23321067 Paper 23297019 Paper 23240897 Paper 23230388 Paper 23181726 Paper 23147065 Paper 23095037 Paper 22985470 Paper 22952226 Paper 22722607 Paper 22641771 Paper 22577942 Paper 22574931 Paper 22556407 Paper 22493450 Paper 22382679 Paper 22376061 Paper 22231271 Paper 22194593 Paper 22116385 Paper 22037601 Paper 22023070 Paper 21953261 Paper 21947924 Paper 21940405 Paper 21924775 Paper 21864686 Paper 21827949 Paper 21824795 Paper 21812486 Paper 21719917 Paper 21505261 Paper 21472576 Paper 21460217 Paper 21337639 Paper 21258329 Paper 21074622 Paper 20923667 Paper 20876352 Paper 20807646 Paper 20708922 Paper 20594934 Paper 20524207 Paper 20489210 Paper 20423049 Paper 20337372 Paper 20331317 Paper 20305658 Paper 20231273 Paper 20133520 Patent 8575932 Patent 8133515 Patent 7780969 Patent 6667036 Patent 6506382 Patent 6438926 Patent 6309639 Patent 6177547 Patent 6146849 Patent 5880091 Patent 5852175 Patent 5464778

Abstract

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. To aid in the dissemination of the GLYCAM force field, a computational tool is being developed that will automatically convert file formats so that either the AMBER or GROMACS simulational packages may be employed to run MD simulations with the GLYCAM force field.

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