Robuta

https://pmc.ncbi.nlm.nih.gov/articles/PMC8766184/ Molecular Docking, Synthesis, and Tyrosinase Inhibition Activity of Acetophenone Amide: Potential... Tyrosinase and its related proteins are responsible for pigmentation disorders, and inhibiting tyrosinase is an established strategy to treat... molecular dockingsynthesistyrosinase https://ub01.uni-tuebingen.de/xmlui/handle/10900/154404?show=full InVADo: Interactive Visual Analysis of Molecular Docking Data visual analysismolecular dockinginvadointeractivedata https://pubmed.ncbi.nlm.nih.gov/37821509/ Larvicidal potential, toxicological assessment, and molecular docking studies of four Egyptian... Mosquito control in Egypt depends on applying chemical synthetic pesticides that impact negatively on human health and the environment as well as the... toxicological assessmentmolecular dockingpotential https://pubmed.ncbi.nlm.nih.gov/40508056/?dopt=Abstract Network Pharmacology and Molecular Docking-Based Approach to Explore Potential Bioactive Compounds... network pharmacologymolecular docking https://iris.cnr.it/handle/20.500.14243/106431 Reverse molecular docking and pathway analysis for the identification of protein targets and... molecular docking https://pmc.ncbi.nlm.nih.gov/articles/PMC7452535/ Vibrational spectra, Hirshfeld surface analysis, molecular docking studies of... The Cyclophosphamide (CYC) is used as an anti cancer agent. It is chemically known as (RS)-N,N-bis(2-chloroethyl)-1,3,2-oxazaphosphinan-2-amine 2-oxide. The... surface analysismolecular dockingspectrastudies https://pubmed.ncbi.nlm.nih.gov/40733568/ Syzygium aromaticum Phytoconstituents Target SARS-CoV-2: Integrating Molecular Docking, Dynamics,... syzygium aromaticumsars covmolecular dockingphytoconstituentstarget https://www.frontiersin.org/journals/molecular-biosciences/articles/10.3389/fmolb.2021.791642/full Frontiers | Molecular Docking and Dynamics Studies to Explore Effective Inhibitory Peptides Against... The spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become a pandemic due to the high transmission and mortality rate of this viru... molecular docking https://www.mdpi.com/2072-6643/15/18/3949 Integrated Network Pharmacology, Molecular Docking, Molecular Simulation, and In Vitro Validation... Globally, lung cancer remains one of the leading causes of cancer-related mortality, warranting the exploration of novel and effective therapeutic approaches.... integrated networkmolecular dockingpharmacologysimulationvitro https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1002499 Accessible High-Throughput Virtual Screening Molecular Docking Software for Students and Educators... We survey low cost high-throughput virtual screening (HTVS) computer programs for instructors who wish to demonstrate molecular docking in their courses. Since... software for studentshigh throughputvirtual screeningmolecular docking https://publications-cnrc.canada.ca/eng/view/object/?id=fd541eba-0264-4e52-a7e9-5b5f4e989200 Enhanced antibody-antigen structure prediction from molecular docking using AlphaFold2 - NRC... Enhanced antibody-antigen structure prediction from molecular docking using AlphaFold2 antibody antigenstructure predictionmolecular dockingenhanced https://www.mdpi.com/2223-7747/12/6/1245 A Comprehensive Review on Cannabis sativa Ethnobotany, Phytochemistry, Molecular Docking and... For more than a century, Cannabis was considered a narcotic and has been banned by lawmakers all over the world. In recent years, interest in this plant has... comprehensive reviewcannabis sativamolecular docking https://www.ornl.gov/publication/portability-gpu-accelerated-molecular-docking-applications-cloud-and-hpc-can-portable Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable... High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics... cloud and hpcmolecular docking https://nrc-publications.canada.ca/fra/voir/objet/?id=b17bef31-9bd6-4c05-bce6-d4191f07907e Applications of the NRGsuite and the molecular docking software FlexAID in computational drug... Applications of the NRGsuite and the molecular docking software FlexAID in computational drug discovery and design of themolecular docking https://pubmed.ncbi.nlm.nih.gov/41691293/ Synthesis, biological evaluation, molecular docking, molecular dynamics simulation, and ADME... A novel series of seven carbazole-aniline hybrids (5a-5 g) were designed, synthesized, and evaluated as potential anticancer agents. Among them, compound 5e,... biological evaluationmolecular dockingdynamics simulationsynthesisadme https://kth.diva-portal.org/smash/record.jsf?pid=diva2:1803830 A GPU-Accelerated Molecular Docking Workflow with Kubernetes and Apache Airflow molecular dockinggpuaccelerated https://pubmed.ncbi.nlm.nih.gov/34684021/ Development, Evaluation, and Molecular Docking of Oral Dissolving Film of Atenolol The development of oral dissolving film (ODF) of atenolol is an attempt to enhance convenience and compliance for geriatric patients suffering from... molecular dockingdevelopmentevaluationoraldissolving https://file.scirp.org/Html/3-1350408_80018.htm Synthesis, Characterizations, Biological, and Molecular Docking Studies of Some Amino Acid Schiff... The synthesis and structural characterization of cobalt(II) complexes of amino acid Schiff bases was prepared from Salicylaldehyde and three amino acid... molecular docking https://www.frontiersin.org/journals/cellular-and-infection-microbiology/articles/10.3389/fcimb.2022.859981/full Frontiers | Homology Modeling, de Novo Design of Ligands, and Molecular Docking Identify Potential... The therapeutic challenges pertaining to leishmaniasis due to reported chemoresistance and toxicity, necessitates the need to explore novel pathways to ident... https://pubmed.ncbi.nlm.nih.gov/32899566/ Synthesis, Anti-proliferative Activity, and Molecular Docking Study of New Series of 1,3-5-Triazine... https://labbces.cena.usp.br/tag/pharmacology-dhfr-inhibitors-drug-discovery-drug-screening-assays-melanoma-molecular-docking-simulations-pharmacophore-modeling-virtual-screening/ pharmacology; DHFR inhibitors; drug discovery; drug screening assays; melanoma; molecular docking... Computational, Evolutionary and Systems Biology Research Group drug discoverypharmacologydhfrinhibitorsscreening https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0142774 Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics,... Non-peptidic thrombin inhibitors (TIs; 177 compounds) with diverse groups at motifs P1 (such as oxyguanidine, amidinohydrazone, amidine, amidinopiperidine), P2... of thethrombin inhibitors https://pubmed.ncbi.nlm.nih.gov/32636751/ 1H NMR-Based Metabolomics Coupled With Molecular Docking Reveal the Anti-Diabetic Effects and... https://pubmed.ncbi.nlm.nih.gov/31375003/ Antibacterial Activity and Molecular Docking Studies of a Selected Series of Hydroxy-3-arylcoumarins Antibiotic resistance is one of the main public health concerns of this century. This resistance is also associated with oxidative stress, which could...