| Nome |
# |
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Advances in the treatment of explicit water molecules in docking and binding free energy calculations, file dfa8b99b-3bcb-748b-e053-3a05fe0a3a96
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729
|
|
Synthesis, in silico and pharmacological evaluation of 2-pyridin-acetamides as tyrosine kinase inhibitors, file dfa8b98f-b907-748b-e053-3a05fe0a3a96
|
431
|
|
3-Aryl-N-aminoylsulfonylphenyl-1H-pyrazole-5-carboxamides : a new class of selective Rac inhibitors, file dfa8b990-de79-748b-e053-3a05fe0a3a96
|
378
|
|
Three-Dimensional Proteome-Wide Scale Screening for the 5-Alpha Reductase Inhibitor Finasteride: Identification of a Novel Off-Target, file dfa8b9a6-7e7c-748b-e053-3a05fe0a3a96
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308
|
|
An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings, file dfa8b99a-7af1-748b-e053-3a05fe0a3a96
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296
|
|
A new scaffold of topoisomerase I inhibitors : Design, synthesis and biological evaluation, file dfa8b995-ca39-748b-e053-3a05fe0a3a96
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280
|
|
VCD spectroscopy as an excellent probe of chiral metal complexes containing a carbon monoxide vibrational chromophore, file dfa8b992-bf15-748b-e053-3a05fe0a3a96
|
279
|
|
Synthesis and "double-faced" antioxidant activity of polyhydroxylated 4-thiaflavans, file dfa8b991-ee75-748b-e053-3a05fe0a3a96
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273
|
|
Tetrahydro-4H-(pyrrolo[3,4-d]isoxazol-3-yl)methanamine : a bicyclic diamino scaffold stabilizing parallel turn conformations, file dfa8b99c-4097-748b-e053-3a05fe0a3a96
|
253
|
|
Synthesis and biological evaluation of new natural phenolic (2E,4E,6E)-Octa-2,4,6-trienoic esters, file dfa8b99b-68ac-748b-e053-3a05fe0a3a96
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251
|
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Peptide modulators of Rac1/Tiam1 protein-protein interaction: An alternative approach for cardiovascular diseases, file dfa8b99a-0d58-748b-e053-3a05fe0a3a96
|
241
|
|
Click-chemistry approach to azacycloalkene monosulfonyl diamines: synthesis and computational analysis of the reaction mechanism, file dfa8b993-ee24-748b-e053-3a05fe0a3a96
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213
|
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β-Hairpin mimics containing a piperidine–pyrrolidine scaffold modulate the β-amyloid aggregation process preserving the monomer species, file dfa8b996-7ef3-748b-e053-3a05fe0a3a96
|
203
|
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Efficient alkylation of N,N '-disubstituted formamidines using Mitsunobu's reagents, file dfa8b98f-0b02-748b-e053-3a05fe0a3a96
|
195
|
|
From glucose to enantiopure morpholino β-amino acid: a new tool for stabilizing γ-turns in peptides, file dfa8b99d-96cf-748b-e053-3a05fe0a3a96
|
193
|
|
Morpholino-based peptide oligomers: Synthesis and DNA binding properties, file dfa8b9a6-0cb3-748b-e053-3a05fe0a3a96
|
193
|
|
Molecular Dynamics and Tubulin Polymerization Kinetics Study on 1,14-Heterofused Taxanes: Evidences of Stabilization of the Tubulin Head-to-Tail Dimer-Dimer Interaction, file dfa8b990-de78-748b-e053-3a05fe0a3a96
|
184
|
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Stereodivergent Synthesis of 5-Aminopipecolic Acids and Application in the Preparation of a Cyclic RGD Peptidomimetic as a nanomolar αVβ3 Integrin Ligand, file dfa8b99a-e489-748b-e053-3a05fe0a3a96
|
183
|
|
Ctr-1 Mets7 motif inspiring new peptide ligands for Cu(i)-catalyzed asymmetric Henry reactions under green conditions, file dfa8b995-abd0-748b-e053-3a05fe0a3a96
|
177
|
|
Tandem tetrahydroisoquinoline-4-carboxylic acid/β-alanine as a new construct able to induce a flexible turn, file dfa8b999-2c53-748b-e053-3a05fe0a3a96
|
173
|
|
Identification and in vivo validation of a 9-mer peptide derived from FSHβ with FSHR antagonist activity, file dfa8b9a3-2a66-748b-e053-3a05fe0a3a96
|
169
|
|
Evaluation of chemical diversity of biotinylated chiral 1,3-diamines as a catalytic moiety in artificial imine reductase, file dfa8b995-7a00-748b-e053-3a05fe0a3a96
|
166
|
|
Model peptides containing the 3-sulfanylnorbornene amino acid, a conformationally constrained cysteine analogue effective inducer of 3(10)-helix secondary structures, file dfa8b993-3abd-748b-e053-3a05fe0a3a96
|
154
|
|
Fluoro-Aryl Substituted α,β2,3-Peptides in the Development of Foldameric Antiparallel β-Sheets: A Conformational Study, file dfa8b99d-f85e-748b-e053-3a05fe0a3a96
|
153
|
|
A tendril perversion in a helical oligomer : trapping and characterizing a mobile screw-sense reversal, file dfa8b998-443a-748b-e053-3a05fe0a3a96
|
144
|
|
Mechanism of stabilization of helix secondary structure by constrained Cα-tetrasubstituted alpha-amino acids, file dfa8b991-e94f-748b-e053-3a05fe0a3a96
|
133
|
|
Rescoring Virtual Screening Results with the MM-PBSA Methods: Beware of Internal Dielectric Constants, file dfa8b99e-759e-748b-e053-3a05fe0a3a96
|
128
|
|
Molecular dynamic simulation of mGluR5 amino terminal domain : essential dynamics analysis captures the agonist or antagonist behaviour of ligands, file dfa8b999-0812-748b-e053-3a05fe0a3a96
|
108
|
|
SARS-CoV-2 infects the human kidney and drives fibrosis in kidney organoids, file dfa8b9aa-39d4-748b-e053-3a05fe0a3a96
|
98
|
|
Editorial: Folded synthetic peptides for biomedical applications, file dfa8b99f-8ff3-748b-e053-3a05fe0a3a96
|
84
|
|
Tuning PFKFB3 Bisphosphatase Activity Through Allosteric Interference, file dfa8b9a0-980d-748b-e053-3a05fe0a3a96
|
84
|
|
Targeting transdifferentiated hepatic stellate cells and monitoring the hepatic fibrogenic process by means of IGF2R-specific peptides designedin silico, file dfa8b9a5-c850-748b-e053-3a05fe0a3a96
|
75
|
|
Cycloaddition reactions of 1,3-diazabuta-1,3-dienes with alkynyl ketenes, file dfa8b99b-223a-748b-e053-3a05fe0a3a96
|
59
|
|
In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins, file dfa8b9a4-1fec-748b-e053-3a05fe0a3a96
|
56
|
|
In Vitro Antimalarial Activity of Inhibitors of the Human GTPase Rac1, file dfa8b9a9-3852-748b-e053-3a05fe0a3a96
|
56
|
|
In Silico Drug Repurposing for SARS-CoV-2 Main Proteinase and Spike Proteins, file dfa8b9a4-c9ed-748b-e053-3a05fe0a3a96
|
53
|
|
Central residues of FSHβ (89–97) peptide are not critical for FSHR binding: Implications for peptidomimetic design, file dfa8b9a7-b17e-748b-e053-3a05fe0a3a96
|
53
|
|
Combining 3D-RISM calculation with hydropathic character for water selection: an application in docking with flexible explicit water, file dfa8b999-5180-748b-e053-3a05fe0a3a96
|
43
|
|
Asymmetric Modular Synthesis of a Semirigid Dipeptide Mimetic by Cascade Cycloaddition/Ring Rearrangement and Borohydride Reduction, file dfa8b99d-4aff-748b-e053-3a05fe0a3a96
|
38
|
|
Identification of the first enantiopure Rac1–Tiam1 protein–protein interaction inhibitor and its optimized synthesis via phosphine free remote group directed hydroarylation, file dfa8b99e-58f2-748b-e053-3a05fe0a3a96
|
38
|
|
Discovery of small molecule binders of human FSHR(TMD) with novel structural scaffolds by integrating structural bioinformatics and machine learning algorithms, file dfa8b99d-e622-748b-e053-3a05fe0a3a96
|
30
|
|
Identification of highly potent and selective MMP2 inhibitors addressing the S1′ subsite with d-proline-based compounds, file dfa8b99e-0ad8-748b-e053-3a05fe0a3a96
|
30
|
|
A Non‐coded β2,2‐Amino Acid with Isoxazoline Core Able to Stabilize Peptides Folding Through an Unprecedented Hydrogen Bond, file 50aad1df-d2f6-45e0-8ac6-11026877e7e4
|
28
|
|
Difference in Virtual Screening Enrichment Using polar and non-polar interactions of MM-PB/GBSA methods, file dfa8b99c-28df-748b-e053-3a05fe0a3a96
|
27
|
|
Copper(II)‐Catalyzed Aminohalogenation of Alkynyl Carbamates, file dfa8b9a9-c749-748b-e053-3a05fe0a3a96
|
27
|
|
1H-Azepine-2-oxo-5-amino-5-carboxylic Acid: A 3(10) Helix Inducer and an Effective Tool for Functionalized Gold Nanoparticles, file dfa8b99d-20dd-748b-e053-3a05fe0a3a96
|
26
|
|
1,3 dipolar cycloadditions of azides on enamines: more than 50 years in a “Click”, file dfa8b9a2-d39d-748b-e053-3a05fe0a3a96
|
25
|
|
Combining 3D-RISM with hydrophatic characteristic water evaluation: first step preparation for further PLANTS virtual screening with flexible explicit water molecules, file dfa8b999-2d68-748b-e053-3a05fe0a3a96
|
21
|
|
Synthesis and conformational analysis of peptides embodying 2,3-methanopipecolic acids, file dfa8b999-aefc-748b-e053-3a05fe0a3a96
|
20
|
|
Discovery of a D-pro-lys peptidomimetic inhibitor of MMP9 : Addressing the gelatinase selectivity beyond S1′ subsite, file dfa8b9a3-3265-748b-e053-3a05fe0a3a96
|
17
|
|
Non-natural 3-Arylmorpholino-β-amino Acid as a PPII Helix Inducer, file dfa8b9a3-3dfc-748b-e053-3a05fe0a3a96
|
17
|
|
Ctr-1 Mets7 motif inspiring new peptide ligands for Cu(i)-catalyzed asymmetric Henry reactions under green conditions, file dfa8b99c-cf07-748b-e053-3a05fe0a3a96
|
16
|
|
Enantioselective Synthesis of cis and trans 4-Aminopipecolic Acids as γ-Amino Acids for the Construction of Cyclic RGD-Containing Peptidomimetics Antagonists of αVβ3 Integrin, file dfa8b9a3-5789-748b-e053-3a05fe0a3a96
|
16
|
|
Pyrrolyl-silicon compounds with different alkyl spacer lengths : synthesis, electrochemical behavior and binding properties, file dfa8b99e-447c-748b-e053-3a05fe0a3a96
|
15
|
|
Non-Conventional Peptide Self-Assembly into a Conductive Supramolecular Rope, file 5ef5bb55-b842-45b2-b48d-0e6bf229ba61
|
13
|
|
Identification of a short ACE2-derived stapled peptide targeting the SARS-CoV-2 Spike protein, file 9457fc08-bcbf-499a-a291-dbfe217749e9
|
9
|
|
Pyrrolyl-silicon compounds with different alkyl spacer lengths : synthesis, electrochemical behavior and binding properties, file dfa8b999-a7a1-748b-e053-3a05fe0a3a96
|
8
|
|
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions, file dfa8b991-e646-748b-e053-3a05fe0a3a96
|
7
|
|
Binding of the repressor complex REST-mSIN3b by small molecules restores neuronal gene transcription in Huntington's disease models, file dfa8b993-826f-748b-e053-3a05fe0a3a96
|
7
|
|
Ctr-1 Mets7 motif inspiring new peptide ligands for Cu(i)-catalyzed asymmetric Henry reactions under green conditions, file bc3cca0d-017b-47f2-a0bc-6622d84e979f
|
6
|
|
Progettazione in-silico, sintesi e valutazione di ciclopeptidi inibitori dell’interazione tra la SARS-CoV2 Spike protein e ACE2 umana, file dd2d9ac0-e312-4ee5-ad0e-a5882786c239
|
6
|
|
Automatization of the Nwat-MMGBSA method to rescore docking results in medium-throughput virtual screening applications, file dfa8b999-3a5d-748b-e053-3a05fe0a3a96
|
6
|
|
Stereodivergent Synthesis of 5-Aminopipecolic Acids and Application in the Preparation of a Cyclic RGD Peptidomimetic as a nanomolar αVβ3 Integrin Ligand, file dfa8b99b-8920-748b-e053-3a05fe0a3a96
|
6
|
|
Flexible water docking and virtual screening using PLANTS combined with tuned water selection criteria, file dfa8b99c-2040-748b-e053-3a05fe0a3a96
|
6
|
|
2-Amino-3-(phenylsulfanyl)norbornane-2-carboxylate : an Appealing Scaffold for the Design of Rac1-Tiam1 Protein-Protein Interaction Inhibitors, file dfa8b991-127b-748b-e053-3a05fe0a3a96
|
5
|
|
MOGLYNET – Modulation of glycolytic flux as a new approach for treatment of atherosclerosis and plaque stabilization: a multidisciplinary study – H2020, file dfa8b99e-5fe5-748b-e053-3a05fe0a3a96
|
5
|
|
Novel Polymyxin-Inspired Peptidomimetics Targeting the SARS-CoV-2 Spike:hACE2 Interface, file 41c1c3ed-355c-4e42-9be4-f7b73216f7a5
|
4
|
|
Identification of a novel off-target of paroxetine: Possible role in sexual dysfunction induced by this SSRI antidepressant drug, file 94b7d389-cffc-4d8c-a3ad-983d2316b221
|
4
|
|
Asymmetric Modular Synthesis of a Semirigid Dipeptide Mimetic by Cascade Cycloaddition/Ring Rearrangement and Borohydride Reduction, file dfa8b994-46cd-748b-e053-3a05fe0a3a96
|
4
|
|
Origin of Helical Screw Sense Selectivity Induced by Chiral Constrained Cα-Tetrasubstituted α-Amino Acids in Aib-based Peptides, file dfa8b995-f742-748b-e053-3a05fe0a3a96
|
4
|
|
2-Amino-3-(phenylsulfanyl)norbornane-2-carboxylate : an Appealing Scaffold for the Design of Rac1-Tiam1 Protein-Protein Interaction Inhibitors, file dfa8b998-b942-748b-e053-3a05fe0a3a96
|
4
|
|
Molecular dynamic simulation of mGluR5 amino terminal domain : essential dynamics analysis captures the agonist or antagonist behaviour of ligands, file dfa8b999-6686-748b-e053-3a05fe0a3a96
|
4
|
|
Workshop internazionale ECHEMINFO EURO 2017, file dfa8b99c-e379-748b-e053-3a05fe0a3a96
|
4
|
|
Modular synthesis of 2,4-diaminoanilines as CNS drug-like non-covalent inhibitors of asparagine endopeptidase, file 3679f410-c171-4936-ba29-df1d870333fa
|
3
|
|
Role of Small GTPase Protein Rac1 in Cardiovascular Diseases: Development of New Selective Pharmacological Inhibitors, file dfa8b990-f96c-748b-e053-3a05fe0a3a96
|
3
|
|
Tuning the Solvation Term in the MM-PBSA/GBSA Binding Affinity Predictions, file dfa8b991-e7dd-748b-e053-3a05fe0a3a96
|
3
|
|
1H-Azepine-2-oxo-5-amino-5-carboxylic Acid: A 3(10) Helix Inducer and an Effective Tool for Functionalized Gold Nanoparticles, file dfa8b992-c1c5-748b-e053-3a05fe0a3a96
|
3
|
|
Improved Computation of Protein–Protein Relative Binding Energies with the Nwat-MMGBSA Method, file dfa8b995-f979-748b-e053-3a05fe0a3a96
|
3
|
|
null, file dfa8b99c-2203-748b-e053-3a05fe0a3a96
|
3
|
|
Identification of the first enantiopure Rac1–Tiam1 protein–protein interaction inhibitor and its optimized synthesis via phosphine free remote group directed hydroarylation, file dfa8b99d-8c2e-748b-e053-3a05fe0a3a96
|
3
|
|
Enantioselective Synthesis of cis and trans 4-Aminopipecolic Acids as γ-Amino Acids for the Construction of Cyclic RGD-Containing Peptidomimetics Antagonists of αVβ3 Integrin, file dfa8b9a3-3c23-748b-e053-3a05fe0a3a96
|
3
|
|
Copper(II)‐Catalyzed Aminohalogenation of Alkynyl Carbamates, file dfa8b9a6-cc6e-748b-e053-3a05fe0a3a96
|
3
|
|
Modular synthesis of 2,4-diaminoanilines as CNS drug-like non-covalent inhibitors of asparagine endopeptidase, file dfa8b9aa-6737-748b-e053-3a05fe0a3a96
|
3
|
|
Accelerated Molecular Dynamics for Peptide Folding: Benchmarking Different Combinations of Force Fields and Explicit Solvent Models, file 217cf08e-a707-4bb1-b7b4-5b12618085c1
|
2
|
|
A Non‐coded β2,2‐Amino Acid with Isoxazoline Core Able to Stabilize Peptides Folding Through an Unprecedented Hydrogen Bond, file ba2303cb-c353-4302-b647-c0d4a47d1071
|
2
|
|
"Scientists Against Malaria," a collaborative drug discovery research initiative, file dfa8b991-eeb5-748b-e053-3a05fe0a3a96
|
2
|
|
Mechanism of stabilization of helix secondary structure by constrained Cα-tetrasubstituted alpha-amino acids, file dfa8b993-eae9-748b-e053-3a05fe0a3a96
|
2
|
|
Synthesis, Structural and Biological Evaluation of Bis-Heteroarylmaleimides and Bis-Heterofused Imides, file dfa8b994-1121-748b-e053-3a05fe0a3a96
|
2
|
|
Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N-Oxide Lewis Base Catalysts, file dfa8b995-ba35-748b-e053-3a05fe0a3a96
|
2
|
|
New Mets7 motif metallopeptide catalysts for Cu(I)-catalyzed asymmetric Henry reaction, file dfa8b998-5d11-748b-e053-3a05fe0a3a96
|
2
|
|
Synthesis and conformational analysis of peptides embodying 2,3-methanopipecolic acids, file dfa8b999-446f-748b-e053-3a05fe0a3a96
|
2
|
|
Replica exchange molecular dynamic simulations for the conformational analyses of synthetic peptides, file dfa8b99c-8236-748b-e053-3a05fe0a3a96
|
2
|
|
Tetrahydro-4H-(pyrrolo[3,4-d]isoxazol-3-yl)methanamine : a bicyclic diamino scaffold stabilizing parallel turn conformations, file dfa8b99d-2bfb-748b-e053-3a05fe0a3a96
|
2
|
|
Identification of highly potent and selective MMP2 inhibitors addressing the S1′ subsite with d-proline-based compounds, file dfa8b99e-0ad9-748b-e053-3a05fe0a3a96
|
2
|
|
Evaluation of chemical diversity of biotinylated chiral 1,3-diamines as a catalytic moiety in artificial imine reductase, file dfa8b9a1-1495-748b-e053-3a05fe0a3a96
|
2
|
|
Identification and in vivo validation of a 9-mer peptide derived from FSHβ with FSHR antagonist activity, file dfa8b9a3-2a67-748b-e053-3a05fe0a3a96
|
2
|
|
Discovery of a D-pro-lys peptidomimetic inhibitor of MMP9 : Addressing the gelatinase selectivity beyond S1′ subsite, file dfa8b9a3-582a-748b-e053-3a05fe0a3a96
|
2
|
|
Non-natural 3-Arylmorpholino-β-amino Acid as a PPII Helix Inducer, file dfa8b9a3-5f0d-748b-e053-3a05fe0a3a96
|
2
|
|
Morpholino-based peptide oligomers: Synthesis and DNA binding properties, file dfa8b9a6-1bb5-748b-e053-3a05fe0a3a96
|
2
|
|
Identification of a short ACE2-derived stapled peptide targeting the SARS-CoV-2 Spike protein, file 5aeaad8e-7c90-46c3-859a-643e26c1dfc1
|
1
|
| Totale |
7815 |