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Molecular Dynamics Simulations of Substrate Release from Trypanosoma cruzi UDP-Galactopyranose Mutase

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 Sampling simulations. The simulations revealed the confo...

詳細記述

保存先:
書誌詳細
出版年:J Chem Inf Model
主要な著者: Cossio-Pérez, Rodrigo, Pierdominici-Sottile, Gustavo, Sobrado, Pablo, Palma, Juliana
フォーマット: Artigo
言語:Inglês
出版事項: 2019
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC6441589/
https://ncbi.nlm.nih.gov/pubmed/30608160
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00675
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