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TypeTitleAuthorRepliesLast updated
BiblioSynthesis, Molecular Docking, Molecular Dynamics and DFT Studies of New Thiazole Derivatives as Dual Cholinesterase Inhibitors Against Alzheimer’s Disease noyan01 month 2 weeks ago
BiblioMultiscale Modeling of the Bacterial Ribosome to Identify Potential Peptide Modulators and Their Allosteric Effects noyan01 month 2 weeks ago
BiblioModeling the deamidation of asparagine residues via succinimide intermediates noyan08 months 1 week ago
BiblioMechanistic Study on [3+2] Cycloaddition and Cyclopropanation Reactions of 1,3-Dioxepine Derivatives in the Presence of Copper(I) Catalyst noyan08 months 1 week ago
BiblioTheoretical Approach to the Wear and Tear Mechanism in Triosephoshate Isomerase:  A QM/MM Study noyan08 months 1 week ago
BiblioA computational study on the mechanism and the kinetics of urethane formation noyan08 months 1 week ago
BiblioA Theoretical Study On Rh(I) Catalyzed Enantioselective Conjugate Addition Reactions of Fluoroalkylated Olefins noyan08 months 1 week ago
BiblioRole of the n+1 amino acid residue on the deamidation of asparagine in pentapeptides noyan08 months 1 week ago
BiblioBismuth nitrate-promoted disproportionative condensation of indoles with cyclohexanone: a new-type azafulvenium reactivity of indole noyan08 months 1 week ago
BiblioMonte Carlo and Molecular Dynamics Simulations suggest controlled release of corticosteroids from mesoporous host MIL-101 (Cr) noyan08 months 1 week ago
BiblioRepurposing of FDA-approved drugs against active site and potential allosteric drug-binding sites of COVID-19 main protease noyan08 months 1 week ago
BiblioMolecular Mechanism of Protein Arginine Deiminase 2: A Study Involving Multiple Microsecond Long Molecular Dynamics Simulations noyan08 months 1 week ago
BiblioMechanistic insights into the challenges of organocatalytic Beckmann rearrangement reactions noyan08 months 1 week ago
BiblioInnovative Use of an Injectable, Self-Healing Drug-Loaded Pectin-Based Hydrogel for Micro- and Supermicro-Vascular Anastomoses noyan08 months 1 week ago
BiblioA computational workflow to determine drug candidates alternative to aminoglycosides targeting the decoding center of E. coli ribosome noyan08 months 1 week ago
BiblioIn Silico Identification of Putative Allosteric Pockets and Inhibitors for the KRASG13D-SOS1 Complex in Cancer Therapy noyan08 months 1 week ago
BiblioComputational insights into substrate-assisted citrullination mechanisms of PAD2 isozyme: A comparative analysis of reaction pathways noyan08 months 1 week ago
BiblioGraphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches noyan08 months 1 week ago

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