Cited by

• Structure based design and anti-breast cancer evaluation of some novel 4-anilinoquinazoline derivatives as potential epidermal growth factor receptor inhibitors.

  Haghighijoo Z, Rezaei Z, Jaberipoor M, Taheri S, Jani M, Khabnadideh S. Haghighijoo Z, et al. Res Pharm Sci. 2018 Aug;13(4):360-367. doi: 10.4103/1735-5362.235163. Res Pharm Sci. 2018. PMID: 30065769 Free PMC article.
• Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.

  Roehrig S, Ackerstaff J, Jiménez Núñez E, Teller H, Ellerbrock P, Meier K, Heitmeier S, Tersteegen A, Stampfuss J, Lang D, Schlemmer KH, Schaefer M, Gericke KM, Kinzel T, Meibom D, Schmidt M, Gerdes C, Follmann M, Hillisch A. Roehrig S, et al. J Med Chem. 2023 Sep 14;66(17):12203-12224. doi: 10.1021/acs.jmedchem.3c00795. Epub 2023 Sep 5. J Med Chem. 2023. PMID: 37669040 Free PMC article.
• Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility.

  Wallraven K, Holmelin FL, Glas A, Hennig S, Frolov AI, Grossmann TN. Wallraven K, et al. Chem Sci. 2020 Jan 22;11(8):2269-2276. doi: 10.1039/c9sc04705k. eCollection 2020 Feb 28. Chem Sci. 2020. PMID: 32180932 Free PMC article.
• Molecular modeling, dynamics simulations, and binding efficiency of berberine derivatives: A new group of RAF inhibitors for cancer treatment.

  Jabbarzadeh Kaboli P, Ismail P, Ling KH. Jabbarzadeh Kaboli P, et al. PLoS One. 2018 Mar 22;13(3):e0193941. doi: 10.1371/journal.pone.0193941. eCollection 2018. PLoS One. 2018. PMID: 29565994 Free PMC article.
• The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.

  Yun MK, Hoagland D, Kumar G, Waddell MB, Rock CO, Lee RE, White SW. Yun MK, et al. Bioorg Med Chem. 2014 Apr 1;22(7):2157-65. doi: 10.1016/j.bmc.2014.02.022. Epub 2014 Feb 25. Bioorg Med Chem. 2014. PMID: 24613625 Free PMC article.