321 results on '"Cozzini, Pietro"'
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2. The Application of In Silico Methods on Umami Taste Receptor
3. Hint approach on Transthyretin folding/unfolding mechanism comprehension
4. A Combined Molecular Dynamics and Hydropathic INTeraction (HINT) Approach to Investigate Protein Flexibility: The PPARγ Case Study
5. Chemometric-assisted cocrystallization: supervised pattern recognition for predicting the formation of new functional cocrystals
6. Computational methods on food contact chemicals: Big data and in silico screening on nuclear receptors family
7. Computational Applications on Food Contact Chemicals as Nuclear Receptor Binders
8. A Computational Workflow to Predict Biological Target Mutations: The Spike Glycoprotein Case Study
9. List of Contributors
10. The Application of In Silico Methods on Umami Taste Receptor
11. Molecular Docking: A Contemporary Story About Food Safety
12. Molecular insights on xenoestrogenic potential of zearalenone-14-glucoside through a mixed in vitro/in silico approach
13. Assessing the hydrolytic fate of the masked mycotoxin zearalenone-14-glucoside – A warning light for the need to look at the “maskedome”
14. Molecular modelling approach to evaluate poisoning of topoisomerase I by alternariol derivatives
15. Hazard identification of cis/trans-zearalenone through the looking-glass
16. Ergot alkaloids: From witchcraft till in silico analysis. Multi-receptor analysis of ergotamine metabolites
17. From oncoproteins to spike proteins: the evaluation of intramolecular stability using hydropathic force field
18. Unintended consequences? Water molecules at biological and crystallographic protein–protein interfaces
19. An insight about the mechanism of action (MoA) of R-bicalutamide on the androgen receptor homodimer using molecular dynamic
20. Fine tuning of the active site modulates specificity in the interaction of O-acetylserine sulfhydrylase isozymes with serine acetyltransferase
21. In silico pharmacogenetic approach: The natalizumab case study
22. A new approach for investigating protein flexibility based on Constraint Logic Programming. The first application in the case of the estrogen receptor
23. How a Blockchain Approach Can Improve Data Reliability in the COVID-19 Pandemic
24. Food contact materials as possible endocrine disruptors for PPARs: a consensus scoring analysis
25. A Logp-Based Scoring Function for the Protein Stability Evaluation: The Transthyretin Case Study
26. A synergism of in silico and statistical approaches to discover new potential endocrine disruptor mycotoxins
27. Understanding Water and Its Many Roles in Biological Structure: Ways to Exploit a Resource for Drug Discovery
28. In Silico Prediction of the Mechanism of Action of Pyriproxyfen and 4′-OH-Pyriproxyfen against A. mellifera and H. sapiens Receptors
29. Application of the quantum mechanical IEF/PCM-MST hydrophobic descriptors to selectivity in ligand binding
30. Risk-benefit in food safety and nutrition – Outcome of the 2019 Parma Summer School
31. The consequences of scoring docked ligand conformations using free energy correlations
32. Explaining cyclodextrin–mycotoxin interactions using a ‘natural’ force field
33. Molecular modeling of binding between amidinobenzisothiazoles, with antidegenerative activity on cartilage, and matrix metalloproteinase-3
34. The Experimental 3D Structure of Nuclear Receptors. A Starting Point for Computational Investigations?
35. Molecular Descriptors for Database Mining. Translating Empirical Chemistry into Mathematics: Tools for QSAR and In Silico Screening Based on the Hydrophobicity of Small Molecules
36. Scoring Functions for Virtual Screening
37. Preface
38. Tools for building a comprehensive modeling system for virtual screening under real biological conditions: The Computational Titration algorithm
39. Rational Design of a User-Friendly Aptamer/Peptide-Based Device for the Detection of Staphylococcus aureus
40. Molecular modelling methods in food safety: Bisphenols as case study
41. Sweet, umami and bitter taste receptors: State of the art of in silico molecular modeling approaches
42. Getting it right: modeling of pH, solvent and “nearly” everything else in virtual screening of biological targets
43. Simulated Gastrointestinal Digestion of Cocoa: Detection of Resistant Peptides and In Silico/In Vitro Prediction of Their Ace Inhibitory Activity
44. Hydrazones of 1,2-benzisothiazole hydrazides: synthesis, antimicrobial activity and QSAR investigations
45. Non Animal Methodologies (NAMs): Research, Testing, Assessment and Applications – ecopa Symposium 2019.
46. New in Silico Trends in Food Toxicology
47. In Silico Approaches Applied to the Study of Peptide Analogs of Ile-Pro-Ile in Relation to Their Dipeptidyl Peptidase IV Inhibitory Properties
48. Unusual coordination mode of a 2-pyridyl ketone oxime ligand in bis(4-butylphenyl 2-pyridyl ketone oximate)palladium(II)
49. Expanding the chemical space of human serine racemase inhibitors
50. Conformational analysis of 1,2:5,6:9,10-tribenzododeca-1,5,9-triene by 1H NMR at 173 K
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