189 results on '"Furnham, Nicholas"'
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2. Fragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni
3. Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals
4. A computational method for predicting the most likely evolutionary trajectories in the step-wise accumulation of resistance mutations
5. Combining structure and genomics to understand antimicrobial resistance
6. Optimisation-based modelling for explainable lead discovery in malaria
7. Chemogenomics and bioinformatics approaches for prioritizing kinases as drug targets for neglected tropical diseases
8. A computational method for predicting the most likely evolutionary trajectories in the stepwise accumulation of resistance mutations.
9. Fragment library screening by X-ray crystallography and hit optimization against thioredoxin glutathione reductase of Schistosoma mansoni
10. Author response: A computational method for predicting the most likely evolutionary trajectories in the stepwise accumulation of resistance mutations
11. To what extent do structural changes in catalytic metal sites affect enzyme function?
12. Prediction of rifampicin resistance beyond the RRDR using structure-based machine learning approaches
13. Explorations in conformational space : restraint-based protein structure modelling
14. Exploring Enzyme Evolution from Changes in Sequence, Structure, and Function
15. Genome-wide analysis of multi- and extensively drug-resistant Mycobacterium tuberculosis
16. Understanding molecular consequences of putative drug resistant mutations in Mycobacterium tuberculosis
17. Editorial: Current approaches in infectious disease drug discovery
18. Complementary Sources of Protein Functional Information: The Far Side of GO
19. A computational method for predicting the most likely evolutionary trajectories in the step-wise accumulation of resistance mutations
20. Schistosomiasis Drug Discovery in the Era of Automation and Artificial Intelligence
21. Structural and Genomic Insights Into Pyrazinamide Resistance in Mycobacterium tuberculosis Underlie Differences Between Ancient and Modern Lineages
22. Author Correction: Genome-wide analysis of multi- and extensively drug-resistant Mycobacterium tuberculosis
23. CATH: comprehensive structural and functional annotations for genome sequences
24. The NAD Binding Domain and the Short-Chain Dehydrogenase/Reductase (SDR) Superfamily
25. The Catalytic Site Atlas 2.0: cataloging catalytic sites and residues identified in enzymes
26. THE RAMACHANDRAN PLOT AND PROTEIN STRUCTURE VALIDATION
27. New functional families (FunFams) in CATH to improve the mapping of conserved functional sites to 3D structures
28. Structure of an Xrcc4–DNA ligase IV yeast ortholog complex reveals a novel BRCT interaction mode
29. FunTree: a resource for exploring the functional evolution of structurally defined enzyme superfamilies
30. Extending CATH: increasing coverage of the protein structure universe and linking structure with function
31. In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
32. Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds
33. Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents
34. Using the Mechanism and Catalytic Site Atlas (M-CSA) to understand enzyme function and evolution
35. Understanding enzyme function evolution from a computational perspective
36. Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites
37. QSAR-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni
38. Comparisons of allergenic and metazoan parasite proteins: allergy the price of immunity
39. The complex relationship between the emerging flaviviruses: dengue and Zika
40. Known allergen structures predict Schistosoma mansoni IgE-binding antigens in human infection
41. Discovery of New Anti-Schistosomal Hits by Integration of QSAR-Based Virtual Screening and High Content Screening
42. Chopping and Changing: the Evolution of the Flavin-dependent Monooxygenases
43. Large-Scale Analysis Exploring Evolution of Catalytic Machineries and Mechanisms in Enzyme Superfamilies
44. FunTree: advances in a resource for exploring and contextualising protein function evolution
45. Comparisons of Allergenic and Metazoan Parasite Proteins: Allergy the Price of Immunity
46. The Classification and Evolution of Enzyme Function
47. Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites.
48. CATH: comprehensive structural and functional annotations for genome sequences
49. The evolution of enzyme function in the isomerases
50. Exploring the Biological and Chemical Complexity of the Ligases
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