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Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00675
Abstract: The enzyme UDP-galactopyranose mutase (UGM) represents a promising drug target for the treatment of infections with Trypanosoma cruzi. We have computed the Potential of Mean Force for the release of UDP-galactopyranose from UGM, using Umbrella…
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Keywords:
release;
galactopyranose mutase;
trypanosoma cruzi;
udp galactopyranose ... See more keywords
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Published in 2017 at "ACS chemical biology"
DOI: 10.1021/acschembio.7b00487
Abstract: Parasitic nematodes pose a serious threat to agriculture, livestock, and human health. Increasing resistance to antiparasitic agents underscores the need to replenish our anthelmintic arsenal. The nonpathogenic Caenorhabditis elegans, which serves as an effective model…
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Keywords:
ugm inhibitors;
udp galactopyranose;
deleterious consequences;
consequences udp ... See more keywords