Cited by

• Breakthroughs in Medicinal Chemistry: New Targets and Mechanisms, New Drugs, New Hopes-7.

  Gütschow M, Eynde JJV, Jampilek J, Kang C, Mangoni AA, Fossa P, Karaman R, Trabocchi A, Scott PJH, Reynisson J, Rapposelli S, Galdiero S, Winum JY, Brullo C, Prokai-Tatrai K, Sharma AK, Schapira M, Azuma YT, Cerchia L, Spetea M, Torri G, Collina S, Geronikaki A, García-Sosa AT, Vasconcelos MH, Sousa ME, Kosalec I, Tuccinardi T, Duarte IF, Salvador JAR, Bertinaria M, Pellecchia M, Amato J, Rastelli G, Gomes PAC, Guedes RC, Sabatier JM, Estévez-Braun A, Pagano B, Mangani S, Ragno R, Kokotos G, Brindisi M, González FV, Borges F, Miloso M, Rautio J, Muñoz-Torrero D. Gütschow M, et al. Molecules. 2020 Jun 28;25(13):2968. doi: 10.3390/molecules25132968. Molecules. 2020. PMID: 32605268 Free PMC article.
• Analyzing the Geometry and Dynamics of Viral Structures: A Review of Computational Approaches Based on Alpha Shape Theory, Normal Mode Analysis, and Poisson-Boltzmann Theories.

  Hsieh YC, Delarue M, Orland H, Koehl P. Hsieh YC, et al. Viruses. 2023 Jun 13;15(6):1366. doi: 10.3390/v15061366. Viruses. 2023. PMID: 37376665 Free PMC article. Review.
• The rise of molecular simulations in fragment-based drug design (FBDD): an overview.

  Bissaro M, Sturlese M, Moro S. Bissaro M, et al. Drug Discov Today. 2020 Sep;25(9):1693-1701. doi: 10.1016/j.drudis.2020.06.023. Epub 2020 Jun 25. Drug Discov Today. 2020. PMID: 32592867 Free PMC article. Review.
• Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins.

  Smilova MD, Curran PR, Radoux CJ, von Delft F, Cole JC, Bradley AR, Marsden BD. Smilova MD, et al. J Chem Inf Model. 2022 Jan 24;62(2):284-294. doi: 10.1021/acs.jcim.1c00823. Epub 2022 Jan 12. J Chem Inf Model. 2022. PMID: 35020376 Free PMC article.
• Going beyond Binary: Rapid Identification of Protein-Protein Interaction Modulators Using a Multifragment Kinetic Target-Guided Synthesis Approach.

  Nacheva K, Kulkarni SS, Kassu M, Flanigan D, Monastyrskyi A, Iyamu ID, Doi K, Barber M, Namelikonda N, Tipton JD, Parvatkar P, Wang HG, Manetsch R. Nacheva K, et al. J Med Chem. 2023 Apr 13;66(7):5196-5207. doi: 10.1021/acs.jmedchem.3c00108. Epub 2023 Mar 31. J Med Chem. 2023. PMID: 37000900 Free PMC article.