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1. Predicting locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

2. The intrinsically disordered protein TgIST from Toxoplasma gondii inhibits STAT1 signaling by blocking cofactor recruitment

3. A cryptic pocket in Ebola VP35 allosterically controls RNA binding

4. Discovery of a cryptic pocket in the AI-predicted structure of PPM1D phosphatase explains the binding site and potency of its allosteric inhibitors

5. Multiple conserved states characterize the twist landscape of the bacterial actin homolog MreB

6. Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

7. The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA

10. The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target

11. Modelling proteins’ hidden conformations to predict antibiotic resistance

13. Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory

15. Apolipoprotein E4 has extensive conformational heterogeneity in lipid-free and lipid-bound forms

17. Structure–function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections

20. Deep Generative Design of Epitope-Specific Binding Proteins by Latent Conformation Optimization

21. Solution of the protein structure prediction problem at last: crucial innovations and next frontiers

22. Accelerating cryptic pocket discovery using AlphaFold

24. Naturally Occurring Genetic Variants in the Oxytocin Receptor Alter Receptor Signaling Profiles

25. Drug specificity and affinity are encoded in the probability of cryptic pocket opening in myosin motor domains

26. SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome

27. Predicting the locations of cryptic pockets from single protein structures using the PocketMiner graph neural network

28. A nepenthesin insert allosterically controls catalysis in the malaria parasite protease plasmepsin V

29. Apolipoprotein E4 has extensive conformational heterogeneity in lipid free and bound forms

30. Abstract PL05-03: What if all your favorite proteins are druggable

33. A cryptic pocket in Ebola VP35 allosterically controls RNA binding

35. Intrinsically disordered pathogen effector alters the STAT1 dimer to prevent recruitment of co-transcriptional activators CBP/p300

37. Advanced Methods for Accessing Protein Shape-Shifting Present New Therapeutic Opportunities

38. Cooperative Changes in Solvent Exposure Identify Cryptic Pockets, Switches, and Allosteric Coupling

39. The nepenthesin insert in the Plasmodium falciparum aspartic protease plasmepsin V is necessary for enzyme function

40. Bexarotene derivatives modify responses in acute myeloid leukemia

41. Opening of a Cryptic Pocket in β-lactamase Increases Penicillinase Activity

42. SARS-CoV2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential

44. Protein sequence models for prediction and comparative analysis of the SARS-CoV-2 —human interactome

45. Open Science Discovery of Potent Non-Covalent SARS-CoV-2 Main Protease Inhibitors

46. SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

47. DiffNets: deep learning the structural determinants of proteins biochemical properties by comparing different structural ensembles

48. The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA

49. Conformational distributions of isolated myosin motor domains encode their mechanochemical properties

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