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1. Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors

2. The molecular interaction pattern of lenvatinib enables inhibition of wild-type or kinase-mutated FGFR2-driven cholangiocarcinoma

3. Structure-Based Identification of Naphthoquinones and Derivatives as Novel Inhibitors of Main Protease Mpro and Papain-like Protease PLpro of SARS-CoV‑2

4. 1,3-Diphenylureido hydroxamate as a promising scaffold for generation of potent antimalarial histone deacetylase inhibitors

6. First-in-class MKK4 inhibitors enhance liver regeneration and prevent liver failure

8. Oncogenic KEAP1 mutations activate TRAF2-NFκB signaling to prevent apoptosis in lung cancer cells

9. HDAC specificity and kinase off-targeting by purine-benzohydroxamate anti-hematological tumor agents

12. Effects of PCSK9 missense variants on molecular conformation and biological activity in transfected HEK293FT cells

16. Targeting Cyclophilin A in the Cardiac Microenvironment Preserves Heart Function and Structure in Failing Hearts.

17. Molecular Modeling of Protein Kinases: Current Status and Challenges

19. Discovery of a synthetic small molecule targeting the central regulator of Salmonella pathogenicity

20. Filling the Blank Space: Branched 4-Nonylphenol Isomers Are Responsible for Robust Constitutive Androstane Receptor (CAR) Activation by Nonylphenol

21. Correction to “Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity”

24. Development of Selective Pyrido[2,3-d]pyrimidin-7(8H)-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors

25. Cathepsin-Targeting SARS-CoV-2 Inhibitors: Design, Synthesis, and Biological Activity

26. Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach

27. Cyclophilin A is a ligand for RAGE in thrombo-inflammation

28. LXRα activation and Raf inhibition trigger lethal lipotoxicity in liver cancer

29. Discovery and Optimization of Narrow Spectrum Inhibitors of Tousled Like Kinase 2 (TLK2) Using Quantitative Structure Activity Relationships

31. Identification of structural features in chemicals associated with cancer drug response: A systematic data-driven analysis

32. Targeting extracellular and juxtamembrane FGFR2 mutations in chemotherapy-refractory cholangiocarcinoma

36. Comprehensive data-driven analysis of the impact of chemoinformatic structure on the genome-wide biological response profiles of cancer cells to 1159 drugs

38. Development of selective pyrido[2,3-d]pyrimidin-7(8H)-one-based Mammalian STE20-like (MST3/4) kinase inhibitors

39. Targeting Glial Cells by Organic Anion-Transporting Polypeptide 1C1 (OATP1C1)-Utilizing l-Thyroxine-Derived Prodrugs

40. HDAC specificity and kinase off-targeting by purine-benzohydroxamate anti-hematological tumor agents

41. Oncogenic KEAP1 mutations activate TRAF2-NFκB signaling to prevent apoptosis in lung cancer cells

42. Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors

43. Linking ATP and allosteric sites to achieve superadditive binding with bivalent EGFR kinase inhibitors

46. Drug discovery on an unprecedented scale: Boosting virtual screening with machine learning allowed for a 10-fold time reduction in the processing of 1.56 billion drug-like molecules

47. 1,3-diphenylureido hydroxamate: a promising scaffold for generation of potent antimalarial histone deacetylase inhibitors

48. Structure-based discovery of thiosemicarbazones as SARS-CoV-2 main protease inhibitors

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