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QSARs and activity predicting models for competitive inhibitors of adenosine deaminase

✍ Scribed by Sayyed Hamed Sadat Hayatshahi; Parviz Abdolmaleki; Mina Ghiasi; Shahrokh Safarian


Book ID
118442168
Publisher
Elsevier Science
Year
2007
Tongue
English
Weight
743 KB
Volume
581
Category
Article
ISSN
0014-5793

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Free energy perturbation calculations were performed to determine the free energy of binding associated with the presence of perhaps an unusual hydroxyl group in the transition state analog of nebularine, an inhibitor of the enzyme adenosine deaminase. The presence of a single hydroxyl group in this