591 results on '"Von Delft, Frank"'
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2. Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni
3. Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2
4. SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction
5. Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking
6. Discovery of allosteric binding sites by crystallographic fragment screening
7. Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking
8. Crystallographic fragment screen of Enterovirus D68 3C protease and iterative design of lead-like compounds using structure-guided expansions
9. Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease
10. Author Correction: Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation
11. An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
12. New routes for PTP1B allosteric inhibition by multitemperature crystallography, fragment screening and covalent tethering
13. An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 Mpro inhibitor
14. A selection of Golden Gate vectors to simplify recombinant protein production in Escherichia coli
15. New routes for PTP1B allosteric inhibition by multitemperature crystallography, fragment screening and covalent tethering
16. Structure-guided fragment-based drug discovery at the synchrotron : screening binding sites and correlations with hotspot mapping
17. A white-knuckle ride of open COVID drug discovery
18. Publisher Correction: Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19
19. Exploring protein hotspots by optimized fragment pharmacophores
20. Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase
21. Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19
22. Role of protein structure in variant annotation: structural insight of mutations causing 6-pyruvoyl-tetrahydropterin synthase deficiency
23. A community effort in SARS‐CoV‐2 drug discovery
24. Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures
25. High-throughput techniques enable structure-guided drug discovery against the inflammatory target NLRP3
26. Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-β-lactamases
27. The Cryptosporidium parvum Kinome
28. Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search
29. A Small Step Toward Generalizability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
30. Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease
31. Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures
32. Structural consequences of BMPR2 kinase domain mutations causing pulmonary arterial hypertension
33. Structural studies of three enzymes of pantothenate biosynthesis in Escherichia coli
34. Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease
35. A community effort to discover small molecule SARS-CoV-2 inhibitors
36. High-throughput crystallography for rapid fragment growth from crude arrays by low-cost robotics
37. Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B
38. Discovery and Development Strategies for SARS-CoV-2 NSP3 Macrodomain Inhibitors
39. Author response: Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B
40. Human ISPD Is a Cytidyltransferase Required for Dystroglycan O-Mannosylation
41. The inhibition of human farnesyl pyrophosphate synthase by nitrogen-containing bisphosphonates. Elucidating the role of active site threonine 201 and tyrosine 204 residues using enzyme mutants
42. Achieving a Good Crystal System for Crystallographic X-Ray Fragment Screening
43. CoPriNet: graph neural networks provide accurate and rapid compound price prediction for molecule prioritisation
44. Tuning microtubule dynamics to enhance cancer therapy by modulating FER-mediated CRMP2 phosphorylation
45. The use of a graph database is a complementary approach to a classical similarity search for identifying commercially available fragment merges
46. Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B
47. Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration : Insights from DNA complex structures
48. Crowdsourcing drug discovery for pandemics
49. A Step Towards Generalisability: Training a Machine Learning Scoring Function for Structure-Based Virtual Screening
50. CoPriNet: Graph Neural Networks provide accurate and rapid compound price prediction for molecule prioritisation.
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