Application of biasing-potential replica exchange simulations for loop modeling and refinement of proteins in explicit solvent by Kannan S, Sippl W, Zacharias M

PARADOCKS – a framework for molecular docking by Pippel M, Meier R, Sippl W

Molecular modeling studies on dengue and West Nile Virus NS2B/NS3 protease inhibitor interaction by Kokpol S, Pianwanit S, Wichapong K, Sippl W

Pharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plants by Ntie-Kang F, Simoben CV, Karaman B, Ngwa VF, Judson PN, Sippl W, Mbaze LM

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The clinically used iron chelator deferasirox is an inhibitor of epigenetic jumonjiC domain-containing histone demethylases by Roatsch, M, Hoffmann, I, Abboud, MI, Hancock, RL, Tarhonskaya, H, Hsu, K-F, Wilkins, SE, Yeh, T-L, Lippl, K, Serrer, K, Moneke, I, Ahrens, TD, Robaa, D, Wenzler, S, Barthes, NPF, Franz, H, Sippl, W, Lassmann, S, Diederichs, S, Schleicher, E, Schofield, CJ, Kawamura, A, Schüle, R, Jung, M

JmjC ‐domain‐containing histone demethylases by Højrup, C, Coleman, OD, Bukowski, J-P, Clausen, RP, Kawamura, A

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