47 results on '"Alberga, Domenico"'
Search Results
2. Strategies of Virtual Screening in Medicinal Chemistry
3. ALPACA: A machine Learning Platform for Affinity and selectivity profiling of CAnnabinoids receptors modulators
4. Multitarget Drug Design for Neurodegenerative Diseases
5. Molecular Docking for Predictive Toxicology
6. Structural Characterization of the Full-Length Anti-CD20 Antibody Rituximab
7. Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
8. Quantitative Polypharmacology Profiling Based on a Multifingerprint Similarity Predictive Approach
9. Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite
10. CATMoS: Collaborative Acute Toxicity Modeling Suite
11. Enhancing the Sensitivity of Biotinylated Surfaces by Tailoring the Design of the Mixed Self-Assembled Monolayer Synthesis
12. CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity
13. Theoretical insights on acceptor–donor dyads for organic photovoltaics
14. Exploring the role of elongation Factor-Like 1 (EFL1) in Shwachman-Diamond syndrome through molecular dynamics
15. Accelerating Drug Discovery by Early Protein Drug Target Prediction Based on a Multi-Fingerprint Similarity Search †
16. A New Approach for Drug Target and Bioactivity Prediction: The Multifingerprint Similarity Search Algorithm (MuSSeL)
17. Prediction of Acute Oral Systemic Toxicity Using a Multifingerprint Similarity Approach
18. Single-molecule detection with a millimetre-sized transistor
19. Design, Synthesis, and Biological Evaluation of Tetrahydro-β-carboline Derivatives as Selective Sub-Nanomolar Gelatinase Inhibitors
20. Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals
21. Automated identification of structurally heterogeneous and patentable antiproliferative hits as potential tubulin inhibitors
22. Cover Feature: Persulfate Reaction in a Hair‐Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13‐Diamino‐4,7,10‐Trioxatridecane (ChemistryOpen 5/2018)
23. Persulfate Reaction in a Hair-Bleaching Formula: Unveiling the Unconventional Reactivity of 1,13-Diamino-4,7,10-Trioxatridecane
24. Strategies of Virtual Screening in Medicinal Chemistry
25. Optoeletronic properties of poly(N -alkenyl-carbazole)s driven by polymer stereoregularity
26. Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals
27. Novel chemotypes targeting tubulin at the colchicine binding site and unbiasing P-glycoprotein
28. Comparative molecular dynamics study of neuromyelitis optica-immunoglobulin G binding to aquaporin-4 extracellular domains
29. Effects of Anthryl Groups on the Charge Transport and Photovoltaic Properties of Small Triarylamine‐Based Donor‐Acceptor Molecules: A Joint Experimental and Theoretical Study
30. A rational approach to elucidate human monoamine oxidase molecular selectivity
31. Effects of Substituents on Transport Properties of Molecular Materials for Organic Solar Cells: A Theoretical Investigation
32. Design, synthesis, biological evaluation, NMR and DFT studies of structurally simplified trimethoxy benzamides as selective P-glycoprotein inhibitors: the role of molecular flatness
33. Permeability Coefficients of Lipophilic Compounds Estimated by Computer Simulations
34. Human Aquaporin-4 and Molecular Modeling: Historical Perspective and View to the Future
35. Multidisciplinary study of a new CIC‐1 mutation causing myotonia congenita: a paradigm to understand and treat ion channelopathies
36. Organic bioelectronics probing conformational changes in surface confined proteins
37. Understanding complexity of physiology by combined molecular simulations and experiments: anion channels as a proof of concept
38. Mind the Gap! A Journey towards Computational Toxicology
39. Theoretical Investigation of Hole Transporter Materials for Energy Devices
40. Effects of Different Self-Assembled Monolayers on Thin-Film Morphology: A Combined DFT/MD Simulation Protocol
41. Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data
42. Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields
43. Morphological and charge transport properties of amorphous and crystalline P3HT and PBTTT: insights from theory
44. A new gating site in human aquaporin-4: Insights from molecular dynamics simulations
45. Identification of a Point Mutation Impairing the Binding between Aquaporin-4 and Neuromyelitis Optica Autoantibodies
46. Trimethoxybenzanilide-Based P-Glycoprotein Modulators: An Interesting Case of Lipophilicity Tuning by Intramolecular Hydrogen Bonding
47. Effects of Annealing and Residual Solvents on Amorphous P3HT and PBTTT Films
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