Why is "Molecular modelling" trending?
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Trend Analysis
- Ranking position: #
- Date: 2026-04-07 03:06:58
This topic has appeared in the trending rankings 1 time(s) in the past year. While it does not trend frequently, its appearance suggests a renewed or concentrated surge of public interest.
Based on Wikipedia pageviews and search interest, this topic gained significant attention on the selected date.
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Wikipedia Overview
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system. The common feature of molecular modelling methods is the atomistic level description of the molecular systems. This may include treating atoms as the smallest individual unit, or explicitly modelling protons and neutrons with its quarks, anti-quarks and gluons and electrons with its photons.
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Trending Topic Today
Search Interest Perspective
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Electron Densities: From Algorithms and Functionals to Molecular Modelling and Chemical Insights - AIP Publishing LLC
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Multi-epitope vaccine design against human metapneumovirus via reverse vaccinology and molecular modelling - Nature
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Quantum and molecular modelling of abrocitinib as a potential disruptor of cell polarity in colorectal cancer - Nature
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PolyConstruct turns months of molecular modelling into a day’s work - Australian Institute for Bioengineering and Nanotechnology (AIBN)
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Deciphering the groove-binding mode of dolutegravir with salmon sperm DNA through spectroscopic and molecular modelling approaches - Nature
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Comparative Molecular Modelling of Capsular Polysaccharide Conformations in Streptococcus suis Serotypes 1, 2, 1/2 and 14 Identifies Common Epitopes for Antibody Binding - Frontiers
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The rise of molecular modelling - RSC Education
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In silico identification of prospective p53-MDM2 inhibitors from ASINEX database using a comprehensive molecular modelling approach - Nature
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Unravelling the human taste receptor interactome: machine learning and molecular modelling insights into protein-protein interactions - Nature
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Energizing molecular modelling - Nature
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Development of an insilico model of eccrine sweat using molecular modelling techniques - Nature
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Molecular modelling studies and in vitro enzymatic assays identified A 4-(nitrobenzyl)guanidine derivative as inhibitor of SARS-CoV-2 Mpro - Nature
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Molecular modelling and site-directed mutagenesis provide insight into saccharide pyruvylation by the Paenibacillus alvei CsaB enzyme - Nature
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Molecular modelling of fullerene C60 functionalized by nitric oxide for use in biological environment | Scientific Reports - Nature
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In vitro assays identified thiohydantoins with anti-trypanosomatid activity and molecular modelling studies indicated possible selective CYP51 inhibition - Nature
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Molecular modelling and gene expression analysis to probe the GT-γ trihelix transcription factors in Solanum tuberosum under drought stress - Nature
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Synthesis, molecular modelling, and antibacterial evaluation of new sulfonamide-dyes based pyrrole compounds - Nature
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Design, molecular modelling and synthesis of novel benzothiazole derivatives as BCL-2 inhibitors - Nature
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An in silico design method of a peptide bioreceptor for cortisol using molecular modelling techniques - Nature
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Molecular modelling of mitofusin 2 for a prediction for Charcot-Marie-Tooth 2A clinical severity - Nature
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Elucidating Axonal Injuries Through Molecular Modelling of Myelin Sheaths and Nodes of Ranvier - Frontiers
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Synthesis, molecular modelling and evaluation of larvicidal efficacy of annulated Benzo[ h ]chromenes against Culex pipiens L. Larvae - Nature
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Waiting for the Quantum Simulation Revolution - American Physical Society
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Molecular modelling evaluation of exon 18 His845_Asn848delinsPro PDGFRα mutation in a metastatic GIST patient responding to imatinib - Nature
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Molecular modelling approaches predicted 1,2,3-triazolyl ester of ketorolac (15K) to be a novel allosteric modulator of the oncogenic kinase PAK1 - Nature
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Regulation of the genome affects its 3D structure - Institute for Research in Biomedicine | IRB Barcelona
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The VEGA web service: multipurpose online tools for molecular modelling and docking analyses - Wiley Online Library
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Potential New H1N1 Neuraminidase Inhibitors from Ferulic Acid and Vanillin: Molecular Modelling, Synthesis and in Vitro Assay - Nature
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Exploration of ligand binding modes towards the identification of compounds targeting HuR: a combined STD-NMR and Molecular Modelling approach - Nature
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Prediction and characterisation of lantibiotic structures with molecular modelling and molecular dynamics simulations - Nature
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International Journal of Molecular Medicine - Spandidos Publications
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BioExcel-CV19: A Breakthrough in Understanding COVID-19 Proteins - Institute for Research in Biomedicine | IRB Barcelona
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Determination and analysis of agonist and antagonist potential of naturally occurring flavonoids for estrogen receptor (ERα) by various parameters and molecular modelling approach - Nature
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Common recognition topology of mex transporters of Pseudomonas aeruginosa revealed by molecular modelling - Frontiers
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In Vitro Antibacterial, Antioxidant, Cytotoxicity Activity, and In Silico Molecular Modelling of Compounds Isolated from Roots of Hydnora johannis - Wiley Online Library
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Modesto Orozco on Radio Nacional de España - Institute for Research in Biomedicine | IRB Barcelona
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Clinical features and molecular modelling of novel MPZ mutations in demyelinating and axonal neuropathies - Nature
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Synthesis, structural characterization and molecular modelling of bidentate azo dye metal complexes: DNA interaction to antimicrobial and anticancer activities - Wiley Online Library
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The identification of novel Mycobacterium tuberculosis DHFR inhibitors and the investigation of their binding preferences by using molecular modelling - Nature
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Synthesis, spectroscopic evaluation, molecular modelling, thermal study and biological evaluation of manganese(II) complexes derived from bidentate N,O and N,S donor Schiff base ligands - Wiley Online Library
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IRB Barcelona develops an advanced method and the first platform of DNA simulations - Institute for Research in Biomedicine | IRB Barcelona
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Understanding the molecular origin of epigenetic markers - Institute for Research in Biomedicine | IRB Barcelona
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Materials and Molecular Modelling Hub receives £4.5m boost in EPSRC funding - King's College London
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Trinity College Dublin: Degrees exploring the frontiers of chemistry - Study International
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Identification and molecular modelling of a novel familial mutation in the SRY gene implicated in the pure gonadal dysgenesis - Nature
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Using pseudo-organisms to detect detoxify toxic spills in aquatic environments - CSIRO
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Molecular modelling - Times of Malta
Why This Topic Is Trending
This topic has recently gained attention due to increased public interest. Search activity and Wikipedia pageviews suggest growing global engagement.
Search Interest & Related Topics
Search interest data over the past 12 months indicates that this topic periodically attracts global attention. Sudden spikes often correlate with major news events, public statements, or geopolitical developments.