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Chemical libraries dedicated to protein-protein interactionsImidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-β hydrolysisLigand efficiency driven design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging, and linking approacheswwLigCSRre: a 3D ligand-based server for hit identification and optimizationDesigning focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methodsInsights into an original pocket-ligand pair classification: a promising tool for ligand profile predictionRationalizing the chemical space of protein-protein interaction inhibitors.Receptor-based computational screening of compound databases: the main docking-scoring engines.MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping.FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects.MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space.Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity.Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery.New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold.The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections.Free resources to assist structure-based virtual ligand screening experiments.Computational analysis of protein-protein interfaces involving an alpha helix: insights for terphenyl-like molecules binding.Identification of novel small molecule inhibitors of activated protein C.Identification of Small Inhibitory Molecules Targeting the Bfl-1 Anti-Apoptotic Protein That Alleviates Resistance to ABT-737.In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances.Stabilization of protein-protein interaction complexes through small molecules.Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor VImbalance in chemical space: How to facilitate the identification of protein-protein interaction inhibitors.In silico-in vitro screening of protein-protein interactions: towards the next generation of therapeutics.In silico studies of blood coagulation proteins: from mosaic proteases to nonenzymatic cofactor inhibitors.iPPI-DB: a manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions.One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade.Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis.Thymoquinone as an anticancer agent: evidence from inhibition of cancer cells viability and invasion in vitro and tumor growth in vivo.Tensin2 reduces intracellular phosphatidylinositol 3,4,5-trisphosphate levels at the plasma membrane.Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group.Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology.1,2,4-Oxadiazoles identified by virtual screening and their non-covalent inhibition of the human 20S proteasome.Which three-dimensional characteristics make efficient inhibitors of protein-protein interactions?Rational design of small molecules targeting the C2 domain of coagulation factor VIII.Privileged Substructures to Modulate Protein-Protein Interactions.Editorial: [Hot Topics: Toward the Design of Drugs on Protein-Protein Interactions]How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysisIn Silico ADME/Tox PredictionsCombining Ligand- and Structure-Based Methods in Drug Design Projects
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P50
description
hulumtues
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հետազոտող
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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Olivier Sperandio
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P106
P1153
18635304300
P21
P2456
P2798
P31
P496
0000-0001-6610-2729