187 results on '"Sperandio, Olivier"'
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2. New machine learning and physics-based scoring functions for drug discovery
3. Investigation of the Fuzzy Complex between RSV Nucleoprotein and Phosphoprotein to Optimize an Inhibition Assay by Fluorescence Polarization
4. Stabilization of protein–protein interaction complexes through small molecules
5. Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737
6. Identification of novel small molecule inhibitors of activated protein C
7. Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-β hydrolysis
8. Rational design of small molecules targeting the C2 domain of coagulation factor VIII
9. Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group
10. One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade
11. iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein–protein interactions
12. Investigation of the Fuzzy Complex between RSV Nucleoprotein and Phosphoprotein to Optimize an Inhibition Assay by Fluorescence Polarization.
13. Characterization of the Interaction Domains between the Phosphoprotein and the Nucleoprotein of Human Metapneumovirus
14. InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein–protein interactions
15. In Silico Approaches Assisting the Rational Design of Low Molecular Weight Protein–Protein Interaction Modulators
16. Design of Protein-Membrane Interaction Inhibitors by Virtual Ligand Screening, Proof of Concept with the C2 Domain of Factor V
17. Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery
18. Rationalizing the chemical space of protein–protein interaction inhibitors
19. Characterization of the interaction domains between the phosphoprotein and the nucleocapsid of human Metapneumovirus
20. MED-3DMC: A new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space
21. The iPPI-DB initiative: a community-centered database of protein–protein interaction modulators
22. InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein–protein interactions.
23. Thymoquinone as an anticancer agent: evidence from inhibition of cancer cells viability and invasion in vitro and tumor growth in vivo
24. A Leap into the Chemical Space of Protein-Protein Interaction Inhibitors
25. Structure-Based Virtual Screening
26. Target-Based Virtual Screening to Address Protein-Protein Interfaces
27. In Silico ADME/Tox Predictions
28. The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections
29. Fr-PPIChem: An Academic Compound Library Dedicated to Protein–Protein Interactions
30. iPPI-DB: A community-based repository of Protein-Protein Interaction modulators
31. The Role of User-Centred Design When Revisiting a Scientific Web Application : Redesign of iPPI-DB, a database for modulators of Protein-Protein Interactions
32. Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity
33. FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects
34. Privileged Substructures to Modulate Protein–Protein Interactions
35. Privileged Substructures to Modulate Protein–Protein Interactions
36. Imbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors
37. Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis
38. In silico design of low molecular weight protein–protein interaction inhibitors: Overall concept and recent advances
39. iPPI-DB: an online database of modulators of protein–protein interactions
40. FAF-Drugs3: a web server for compound property calculation and chemical library design
41. MTiOpenScreen: a web server for structure-based virtual screening
42. Les chimiothèques ciblant les interactions protéine-protéine
43. An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions
44. Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein–Protein Interactions?
45. New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold
46. Drug-Like ProteinProtein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology
47. Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches
48. Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl–like molecules binding
49. iPPI-DB: an online database of modulators of protein-protein interactions.
50. Editorial: [Hot Topics: Toward the Design of Drugs on Protein-Protein Interactions]
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