in-silico

Documents about in-silico

• In silico analysis of phages-nanogen interplay: Human gastrointestinal tract microbiota dynamics and clinical perspectives#357552HAL (France)
• Aplicación del algoritmo de optimización por colonia de hormigas (aco) en la optimización de rutas urbanas: un estudio de caso in silico#396903Repositorio de la Pontificia Universidad Católica del Ecuador
• A Comprehensive In-Silico Pipeline for the Discovery of Non-toxic, Stable Antimicrobial Peptides From Databases for Targeting Multi-Drug Resistant K. pneumoniae.#440745NCBI PubMed Central
• Antidiabetic Effects of Thymol and Beta Carophylene Compounds from Ocimum gratissimum Linn Using in silico and in vivo Approaches#413405University of Ibadan Institutional Repository
• Agrochemical residues and food safety: In-depth in silico assessment of the degradation mechanism of chlorpyrifos-oxon by niobium dioxide (NbO₂), a naturally occurring and cost-effective mineral.#422943NCBI PubMed Central
• Computational analysis and functional prediction of ubiquitin hypothetical protein: A possible target in parkinson disease#935919Repositorio de Universidad Autónoma de Chile.
• In silico engineering of nuclear-targeted peptides targeting the AP-1 transcriptional complex#214716ARPHA OAI-PMH Endpoint
• Experimental and MEDT Study of Sydnone–Alkyne Cycloaddition-Based Synthesis of 1,4-Disubstituted Pyrazoles and In Silico Investigation of Their Binding to HCV and HIV Proteins#235123HAL (France)
• Experimental and In Silico Evaluation of Honey-Derived Phenolic Compounds: Antioxidant Activity, Anti-Inflammatory Potential Pharmacokinetic Properties, Toxicity Assessment, and Multitarget Anti-Inflammatory Potential.#636543NCBI PubMed Central
• FLiP-Z by Zimeck: A Python-Based Machine-Learning Tool for Predicting Fungicide-Likeness of Organic Molecules#784617Europe PMC
• FLiP-Z by Zimeck: A Python-Based Machine-Learning Tool for Predicting Fungicide-Likeness of Organic Molecules#970777Europe PMC
• Antidiabetic potential of Mentha piperita essential oil: GC–MS profiling, in vitro, in vivo and in silico analyses#218072HAL (France)
• In-house scripts for pangenomic analysis of Stenotrophomonas maltophilia and in silico multi-epitope immunogen design#401561Zenodo (CERN)
• A comprehensive In silico analysis of neopetroside A as a therapeutic agent targeting insulin- and adiponectin-centered pathway modulation in type 2 diabetes mellitus#417135Animo Repository
• Análises estruturais e de modelos de interação das proteases NS3 dos Flavivirus zika e dengue, e nsP2 dos Alphavirus chikungunya e mayaro utilizando ferramentas in silico e in vitro#646798Repositório Institucional da UnB
• In Silico Screening of Natural Compounds as Novel Drug Targets for the Treatment of Multiple Myeloma#200316DigitalCommons@USU
• Frags2Drugs: A Novel In Silico Fragment-Based Approach to the Discovery of Kinase Inhibitors#262123HAL (France)
• Mecanismos de regulação cardiometabólica induzidos pelo exercício físico na prevenção da aterosclerose: uma análise in silico#263377Repositório Institucional da UFPB
• Proteomic and in silico characterization identifies conarachin as a major IgE-reactive peanut allergen#304607HAL (France)
• Acute Myeloid Leukemia(AML) proteins for in silico drug design using pharmacophore modeling, molecular docking and molecular dynamics simulation#637000PLOS
• Análise toxicológica e avaliação de atividades farmacológicas de extrato hidroetanólico de cladódios de Harrisia adscendens (Gürke) Britton & Rose#680623RI UFPE
• AKTIVITAS EKSTRAK ETANOL DAUN SALAM [Syzygium polyanthum (Wight) Walp.] SEBAGAI PENGHAMBAT ENZIM α-GLUKOSIDASE DAN STUDI SECARA IN SILICO#932863Jurnal Fitofarmaka Indonesia
• Design, synthesis, anticancer activity, and mechanistic investigation of 4,5,6,7-tetrahydrobenzo[b]thiophene carboxamides as CDK-2 inhibitors: in vitro and in silico DFT and molecular docking study.#251145NCBI PubMed Central
• Comparative in silico characterization of virulence factors in major Brucella species reveals potential targets for vaccine and drug target discovery#308607Muğla Sıtkı Koçman University Institutional Repository
• Potential Use of Vitex agnus-castus Hydroalcoholic Extract for Cosmetic Applications: In Vitro, In Silico, and Formulation Investigations#408881IRIS
• Bio-guided fractionation of (9Z )-5,8,11-trihydroxyoctadec-9-enoic acid from Abelmoschus sagittifolius root as a potent α-glucosidase inhibitor: An integrated in vitro and in silico study.#659805NCBI PubMed Central
• Análise in-silico da regulação gênica pelo exercício físico sobre as vias moleculares ligadas à doença de Parkinson#263380Repositório Institucional da UFPB
• Cover, Content, and Editorial Note from Borneo J Pharm Vol. 8 No. 4 November 2025: Advancing Natural Heritage, Clinical Optimization, and In Silico Innovations#318961Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya
• Discovery and Putative Perception Mechanisms of Novel Umami Peptides from Ruditapes philippinarum Cooking Liquid: In Silico Screening, Molecular Docking, Sensory Evaluation, and STC-1 Cell-Based Validation.#319108NCBI PubMed Central
• Evidencing strain-dependency of metabolic pathways within 1,494 lactic bacteria genomes with the in silico screening Prolipipe pipeline#357572HAL (France)
• CARA-VT: a Dosimetric in Silico Study#831526ClinicalTrials.gov
• Crystal structure of (2E)-3-[4-(dimethylamino)-phenyl]-1-(thiophen-2-yl)prop-2-en-1-one#928260Repositório Institucional da Universidade Federal de Sergipe
• Aktivitas Fraksi Air Kulit Batang Mahoni (Swietenia macrophylla King.) Dan Studi In Silico Senyawa Kimia Penghambat Enzim α-Glukosidase#932853Jurnal Fitofarmaka Indonesia
• In silico design of MOFs with enhanced CO2 separation performances: role of metal sites#955697Koc University Digital Collections
• Molecular layering and CO₂ selectivity in graphene-supported natural deep eutectic solvent films: An in-silico investigation#263456Repositorio Institucional de la Universidad de Burgos (RIUBU)
• Inhibition of Echis ocellatus venom metalloprotease by flavonoid-rich ethyl acetate sub-fraction of Moringa oleifera (Lam.) leaves: in vitro and in silico approaches#278418University of Ibadan Institutional Repository
• Design, Synthesis, In Vitro Biological Evaluation, and In Silico Analyses of Novel Pyrano[3,4‑b]indole-Containing Compounds as Promising Multitarget Candidates for Alzheimer's Disease and Cancer Therapy.#796624NCBI PubMed Central
• In Silico Evaluation of Kaempferol, Gallic Acid, and Stigmasterol from Lagerstroemia speciosa as Multi-Target Antidiabetic Agents: Molecular Docking and Dynamics Simulation Study#326425Institute for Research and Community Services Universitas Muhammadiyah Palangkaraya
• AssayBLAST v2: Major update improving reliability and reporting of the in silico analysis of molecular multi-parameter assays / Tom Eulenfeld, Maximillian Collatz, Sascha D. Braun, Ralf Ehricht#1052360Deutsche Nationalbibliothek
• A nanophytomedicine approach including tea tree essential oil for possible dental applications: in vitro and in silico evaluations#211777Recep Tayyip Erdoğan University Institutional Repository
• Opuntia ficus-indica leaves extract-derived topical cream for burn healing: in vivo, in vitro, and in silico studies#301094HAL (France)
• Novel Class of Proteasome Inhibitors: In Silico and In Vitro Evaluation of Diverse Chloro(trifluoromethyl)aziridines#464440IRIS
• Eco-friendly synthesis of an antimicrobial polymer (1,4-bis(methacryloyl)piperazine) via maghnite catalysis: in vitro activity and in silico drug-likeness#300985HAL (France)
• CeNA1: the newly discovered gene marker for early somatic embryogenesis in centaury (Centaurium erythraea Rafn.) – transcript, gene, gene promoter and protein sequences#353927IBISS
• Comparison of Antioxidant Activity and DPP4 Inhibitory Potential of Extracts from Three Regions in Central Java and Evaluation of Their Individual Compounds: In Vitro and In Silico Studies#630509Indonesian Journal of Pharmacy
• In silico prediction method for plant nucleotide-binding leucine-rich repeat- and pathogen effector interactions#201307University of Pretoria Repository
• Drugs inducing interstitial lung disease:<i> </i><i>in silico</i> analysis of their structures and targets#370241Figshare
• Antidiabetic Potential of Aronia melanocarpa–β-Glucan System: From Extraction Optimization Through In Silico Understanding of Activity to Stabilization of Anthocyanins#403937HAL (France)
• Investigação in silico do sistema colinérgico: desenvolvimento de antídotos contra armas químicas e prospecção de fármacos para a doença de Alzheimer#631745RI UFLA
• Perancangan primer gen lktB pada Fusobacterium necrophorum untuk analisis PCR: Primer design of lktB gene on Fusobacterium necrophorum for PCR assay#931595Jurnal Sains dan Teknologi Peternakan