Small molecule ligand/drug representation and validation in the Protein Data Bank
Foundations of Crystallography(2017)
摘要
[1] Berman, HM, Henrick, K. & Nakamura, H.(2003). Nat Struct Biol 10, 980.[2] Westbrook, JD, Shao, C., Feng, Z., Zhuravleva, M., Velankar, S. & Young, J.(2015). Bioinformatics 31, 1274-1278.[3] Adams, PD, Aertgeerts, K., Bauer, C., Bell, JA, Berman, HM, Bhat, TN, Blaney, JM, Bolton, E., Bricogne, G., Brown, D., Burley, SK, Case, DA, Clark, KL, Darden, T., Emsley, P., Feher, VA, Feng, Z., Groom, CR, Harris, SF, Hendle, J., Holder, T., Joachimiak, A., Kleywegt, GJ, Krojer, T., Marcotrigiano, J., Mark, AE, Markley, JL, Miller, M., Minor, W., Montelione, GT, Murshudov, G., Nakagawa, A., Nakamura, H., Nicholls, A., Nicklaus, M., Nolte, RT, Padyana, AK, Peishoff, CE, Pieniazek, S., Read, RJ, Shao, C., Sheriff, S., Smart, O., Soisson, S., Spurlino, J., Stouch, T., Svobodova, R., Tempel, W., Terwilliger, TC, Tronrud, D., Velankar, S., Ward, SC, Warren, GL, Westbrook, JD, Williams, P., Yang, H. & Young, J.(2016). Structure 24, 502-508.
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