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Predicting protein flexibility through the prediction of local structures
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Outgoing claims: the papers this work cites, builds on, or argues with.
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High-throughput modeling and analysis of protein structural dynamics
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Structural biology and bioinformatics in drug design: opportunities and challenges for target identification and lead discovery
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Improved amino acid flexibility parameters
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Protein flexibility and intrinsic disorder
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Length-dependent prediction of protein intrinsic disorder
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Prediction of flexible/rigid regions from protein sequences using k-spaced amino acid pairs
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Fatty Acid Binding Proteins: Same Structure but Different Binding Mechanisms? Molecular Dynamics Simulations of Intestinal Fatty Acid Binding Protein
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Robust Prediction of B-Factor Profile from Sequence Using Two-Stage SVR Based on Random Forest Feature Selection
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REFINEMENT OF THE STRUCTURE OF RECOMBINANT RAT INTESTINAL FATTY ACID-BINDING APOPROTEIN AT 1.2 ANGSTROMS RESOLUTION
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Structural basis for the mutation-induced dysfunction of the human IL-15/IL-15α receptor complex
inferred← citeshttps://doi.org/10.1039/d2ra07537gopenalex-snapshot
Structure-based approach: molecular insight of pyranocumarins against α-glucosidase through computational studies
inferred← citeshttps://doi.org/10.1039/d3ra05942aopenalex-snapshot
Bioactivity of dihydropyrimidinone derivatives as inhibitors of cyclooxygenase-2 (COX-2): an in silico approach
inferred← citeshttps://doi.org/10.1039/d4cp00844hopenalex-snapshot
Exploring the mechanism of action of spirooxindoles as a class of CDK2 inhibitors: a structure-based computational approach
inferred← citeshttps://doi.org/10.1039/d6ra04698copenalex-snapshot
Chemical profiling, biological evaluation, and QSAR-informed metabolite prioritization of Hypericum ekerii : a first report on antioxidant, enzyme inhibitory, and cytotoxic activities
inferred← citeshttps://doi.org/10.1042/bcj20200675openalex-snapshot
Computational and experimental characterization of the novel ECM glycoprotein SNED1 and prediction of its interactome
inferred← citeshttps://doi.org/10.1051/epjconf/202636601007openalex-snapshot
Protein order and disorder: A quantitative in silico analysis
inferred← citeshttps://doi.org/10.1080/00387010.2025.2520303openalex-snapshot
Spectral elucidation, topology analyses and molecular docking of tolylfluanid: a density functional theory perspective
inferred← citeshttps://doi.org/10.1080/07391102.2016.1254683openalex-snapshot
Effects of static magnetic fields on the structure, polymerization, and bioelectric of tubulin assemblies
inferred← citeshttps://doi.org/10.1080/07391102.2018.1498803openalex-snapshot
Structural exploration of viral matrix protein 40 interaction with the transition metal ions (Ag+ and Cu2+)
inferred← citeshttps://doi.org/10.1080/07391102.2019.1650112openalex-snapshot
Discrete analyses of protein dynamics
inferred← citeshttps://doi.org/10.1080/07391102.2020.1742205openalex-snapshot
In silico studies of the inhibition mechanism of dengue with papain
inferred← citeshttps://doi.org/10.1080/07391102.2020.1819882openalex-snapshot
Targeting SARS-CoV-2 Nsp12/Nsp8 interaction interface with approved and investigational drugs: an in silico structure-based approach
inferred← citeshttps://doi.org/10.1080/07391102.2020.1854859openalex-snapshot
Fi-score: a novel approach to characterise protein topology and aid in drug discovery studies
inferred← citeshttps://doi.org/10.1080/07391102.2022.2067238openalex-snapshot
Study of the dynamic behavior of the cruzain enzyme in free and complexed forms with competitive and noncovalent benzimidazole inhibitors
inferred← citeshttps://doi.org/10.1080/07391102.2022.2123399openalex-snapshot
Structural communication fingerprinting and dynamic investigation of RBD-hACE2 complex from BA.1 × AY.4 recombinant variant (Deltacron) of SARS-CoV-2 to decipher the structural basis for enhanced transmission
inferred← citeshttps://doi.org/10.1080/07391102.2022.2158944openalex-snapshot
Structural plasticity of omicron BA.5 and BA.2.75 for enhanced ACE-dependent entry into cells
inferred← citeshttps://doi.org/10.1080/07391102.2022.2164061openalex-snapshot
Discovery and optimization of natural-based nanomolar c-Kit inhibitors via in silico and in vitro studies
inferred← citeshttps://doi.org/10.1080/07391102.2023.2174596openalex-snapshot
Investigating the binding affinity of andrographolide against human SARS-CoV-2 spike receptor-binding domain through docking and molecular dynamics simulations
inferred← citeshttps://doi.org/10.1080/07391102.2023.2206288openalex-snapshot
Computational investigation of Moringa oleifera phytochemicals targeting EGFR: molecular docking, molecular dynamics simulation and density functional theory studies
inferred← citeshttps://doi.org/10.1080/07391102.2023.2239925openalex-snapshot
An in-silico receptor-pharmacophore based multistep molecular docking and simulation study to evaluate the inhibitory potentials against NS1 of DENV-2
inferred← citeshttps://doi.org/10.1080/07391102.2024.2435621openalex-snapshot
In vitro , in silico , and STD-NMR studies of flavonoids from Hypericum helianthemoides (Spach) Boiss. against Leishmania major pteridine reductase 1 ( Lm PTR1)
inferred← citeshttps://doi.org/10.1080/08927022.2026.2709397openalex-snapshot
Designing NPC1 inhibitors to halt Ebola virus progression: disrupting the hydrophobic loop-cavity interaction between NPC1-C and GPcl using combined molecular dynamics and experimental inhibitor comparison
inferred← citeshttps://doi.org/10.1080/1062936x.2025.2496156openalex-snapshot
In silico design of benzothiazole and phthalimide-derived hybrids as protoporphyrinogen IX oxidase inhibitors
inferred← citeshttps://doi.org/10.1080/14786419.2024.2323542openalex-snapshot
A new labdane diterpenoid, in vitro and in silico cytotoxicity, and protease inhibitory effects of phytochemicals from Juniperus polycarpos K. Koch leaves
inferred← citeshttps://doi.org/10.1080/17460913.2024.2398332openalex-snapshot
Predicting of novel homoserine dehydrogenase inhibitors against Paracoccidioides brasiliensis : integrating in silico and in vitro approaches
inferred← citeshttps://doi.org/10.1093/bioinformatics/btt716openalex-snapshot
Sequence-based Gaussian network model for protein dynamics
inferred← citeshttps://doi.org/10.1093/gbe/evae176openalex-snapshot
Sequence, Structure, and Functional Space of Drosophila De Novo Proteins
inferred← citeshttps://doi.org/10.1093/nar/gks482openalex-snapshot
PredyFlexy: flexibility and local structure prediction from sequence
inferred← citeshttps://doi.org/10.1096/fj.202601240rrropenalex-snapshot
Therapeutic Potential of Solanum macrocarpon in Uterine Leiomyoma: In Vivo and In Silico Approaches
inferred← citeshttps://doi.org/10.1098/rsif.2013.1147openalex-snapshot
From local structure to a global framework: recognition of protein folds
inferred← citeshttps://doi.org/10.1101/2021.06.07.447321openalex-snapshot
E156G and Arg158, Phe-157/del mutation in NTD of spike protein in B.1.617.2 lineage of SARS-CoV-2 leads to immune evasion through antibody escape
inferred← citeshttps://doi.org/10.1109/icicis52592.2021.9694143openalex-snapshot
In-Silico Screening of Potential Anti-Glycoprotein of Nipah Virus
inferred← citeshttps://doi.org/10.1111/ijlh.13258openalex-snapshot
Molecular and clinical profile of congenital fibrinogen disorders in Iran, identification of two novel mutations
inferred← citeshttps://doi.org/10.1134/s0021364023600039openalex-snapshot
Density Functional Theory, Molecular Dynamics, and AlteQ Studies of Baimantuoluoamide A and Baimantuoluoamide B to Identify Potential Inhibitors of Mpro Proteins: a Novel Target for the Treatment of SARS COVID-19
inferred← citeshttps://doi.org/10.1142/s0219720017500093openalex-snapshot
NEAT-FLEX: Predicting the conformational flexibility of amino acids using neuroevolution of augmenting topologies
inferred← citeshttps://doi.org/10.1177/09612033251396269openalex-snapshot
Targeting systemic lupus erythematosus (SLE) using Withania somnifera derived compounds: A network and molecular dynamics study
inferred← citeshttps://doi.org/10.1186/1471-2105-14-286openalex-snapshot
The scoring of poses in protein-protein docking: current capabilities and future directions
inferred← citeshttps://doi.org/10.1186/s12859-016-1117-3openalex-snapshot
FLEXc: protein flexibility prediction using context-based statistics, predicted structural features, and sequence information
inferred← citeshttps://doi.org/10.1210/me.2012-1386openalex-snapshot
PRR Repeats in the Intracellular Domain of KISS1R Are Important for Its Export to Cell Membrane
inferred← citeshttps://doi.org/10.1371/journal.pone.0080493openalex-snapshot
Detecting Protein Candidate Fragments Using a Structural Alphabet Profile Comparison Approach
inferred← citeshttps://doi.org/10.1371/journal.pone.0336841openalex-snapshot
Molecular docking and MD simulations predicted quercetin as a potent human interleukin-1 beta (hIL1β) inhibitor for improved endodontic disease management
inferred← citeshttps://doi.org/10.1371/journal.pone.0343189openalex-snapshot
Comprehensive analysis of non-synonymous single-nucleotide polymorphism of human TSC1 and TSC2 genes: An in silico approach
inferred← citeshttps://doi.org/10.15171/ijb.1419openalex-snapshot
Variability of the Cyclin-Dependent Kinase 2 Flexibility Without Significant Change in the Initial Conformation of the Protein or Its Environment; a Computational Study
inferred← citeshttps://doi.org/10.17161/iallt.v34i1.8343openalex-snapshot
Effects of Celosia argentea L. leaf on Monosodium Glutamate (MSG)-Induced Uterine Leiomyoma In Wistar Rats: Experimental and Computational Perspectives
inferred← citeshttps://doi.org/10.19080/aibm.2019.12.555834openalex-snapshot
An in-Silico Approach to Understanding the Structure-Function: A Molecular Dynamics Simulation Study of Rand Serine Protease Properties from Bacillus Subtilis in Aqueous Solvents
inferred← citeshttps://doi.org/10.2147/dddt.s489113openalex-snapshot
Network Pharmacology, Molecular Docking and Experimental Validation on Potential Application of Diabetic Wound Healing of Cinnamomum zeylanicum Through Matrix Metalloproteinases-8 And 9 (MMP-8 And MMP-9)
inferred← citeshttps://doi.org/10.2147/ijgm.s603479openalex-snapshot
Synergistic Effects of Thymoquinone, 3-Hydrazinoquinoxaline-2-Thiol, and Amphotericin B Against Methicillin-Resistant Staphylococcus aureus: In vitro and in silico Evaluation
inferred← citeshttps://doi.org/10.2174/0929866529666220405102230openalex-snapshot
Mutational Analysis of Interleukin-11 and its Consequences on Cancer and COVID-19 Related Cytokine Storm -An Extensive Molecular Dynamics Study
inferred← citeshttps://doi.org/10.2174/1386207325666220214110717openalex-snapshot
Extended Double Bond Conjugation in the Chalcone Framework Favours MAO-B Inhibition: A Structural Perspective on Molecular Dynamics
inferred← citeshttps://doi.org/10.2174/1389201021666200628152246openalex-snapshot
In Silico Repurposing of J147 for Neonatal Encephalopathy Treatment: Exploring Molecular Mechanisms of Mutant Mitochondrial ATP Synthase
inferred← citeshttps://doi.org/10.2174/1389201021666200730151218openalex-snapshot
Leveraging on Active Site Similarities; Identification of Potential Inhibitors of Zinc-Finger and UFSP domain Protein (ZUFSP)
inferred← citeshttps://doi.org/10.2174/1389201023666220617151552openalex-snapshot
Investigating the Impact of Covalent and Non-covalent Binding Modes of Inhibitors on Bruton’s Tyrosine Kinase in the Treatment of B Cell Malignancies - Computational Insights
inferred← citeshttps://doi.org/10.2174/1573409919666221230105758openalex-snapshot
Revisiting the South Indian Traditional Plants against Several Targets of SARS-CoV-2 - An in silico Approach
inferred← citeshttps://doi.org/10.2174/1875036201206010009openalex-snapshot
ProMode-Oligomer: Database of Normal Mode Analysis in Dihedral Angle Space for a Full-Atom System of Oligomeric Proteins
inferred← citeshttps://doi.org/10.2298/abs170215022nopenalex-snapshot
Dynamics and deformability of α-, 310- and π-helices
inferred← citeshttps://doi.org/10.26874/jkk.v6i1.202openalex-snapshot
Computational Study of Phytopharmaceutical Antidiabetic Potential of Gorontalo Traditional Medicine Plants
inferred← citeshttps://doi.org/10.29086/10413/22663openalex-snapshot
Comparative study of covalent & non-covalent drug inhibitory mechanism investigation: targeting HSP72 protein in cancer therapy using molecular modelling techniques.
inferred← citeshttps://doi.org/10.31857/s1234567823100117openalex-snapshot
Density Functional Theory, Molecular Dynamics, and AlteQ Studies of Baimantuoluoamide A and Baimantuoluoamide B to Identify Potential Inhibitors of Mpro Proteins: a Novel Target for the Treatment of SARS COVID-19
inferred← citeshttps://doi.org/10.3389/fchem.2024.1360392openalex-snapshot
Molecular dynamics of the human RhD and RhAG blood group proteins
inferred← citeshttps://doi.org/10.3389/fimmu.2022.869313openalex-snapshot
Identification and Characterization of BmNPV m6A Sites and Their Possible Roles During Viral Infection
inferred← citeshttps://doi.org/10.3389/fnut.2025.1669528openalex-snapshot
Ethnomedicinal validation of Telfairia occidentalis L. leaf: a dual experimental and computational approach to uterine leiomyoma therapy
inferred← citeshttps://doi.org/10.3390/biom15070998openalex-snapshot
Phytocompounds in Precision Dermatology: COX-2 Inhibitors as a Therapeutic Target in Atopic-Prone Skin
inferred← citeshttps://doi.org/10.3390/biomedinformatics3020021openalex-snapshot
Evaluation of Transmembrane Protein Structural Models Using HPMScore
inferred← citeshttps://doi.org/10.3390/chemistry7040130openalex-snapshot
Characterization and Computational Insights into the Potential Biological Activity of 4-Hydroxyphenyl 8-Chlorooctanoate Purified from Endophytic Fusarium solani
inferred← citeshttps://doi.org/10.3390/ijms21062243openalex-snapshot
Accurate Representation of Protein-Ligand Structural Diversity in the Protein Data Bank (PDB)
inferred← citeshttps://doi.org/10.3390/ijms222010986openalex-snapshot
MAP/Microtubule Affinity Regulating Kinase 4 Inhibitory Potential of Irisin: A New Therapeutic Strategy to Combat Cancer and Alzheimer’s Disease
inferred← citeshttps://doi.org/10.3390/ijms23020858openalex-snapshot
Analysis of Integrin αIIb Subunit Dynamics Reveals Long-Range Effects of Missense Mutations on Calf Domains
inferred← citeshttps://doi.org/10.3390/ijms24054511openalex-snapshot
General Trends of the Camelidae Antibody VHHs Domain Dynamics
inferred← citeshttps://doi.org/10.3390/ijms26083727openalex-snapshot
Impact of Ruxolitinib Interactions on JAK2 JH1 Domain Dynamics
inferred← citeshttps://doi.org/10.3390/ijms262010038openalex-snapshot
Molecular Docking and Simulation Analysis of Glioblastoma Cell Surface Receptors and Their Ligands: Identification of Inhibitory Drugs Targeting Fibronectin Ligand to Potentially Halt Glioblastoma Pathogenesis
inferred← citeshttps://doi.org/10.3390/molecules27217317openalex-snapshot
Ultra-Large-Scale Screening of Natural Compounds and Free Energy Calculations Revealed Potential Inhibitors for the Receptor-Binding Domain (RBD) of SARS-CoV-2
inferred← citeshttps://doi.org/10.3390/molecules29050998openalex-snapshot
Identification of Phytochemicals from Arabian Peninsula Medicinal Plants as Strong Binders to SARS-CoV-2 Proteases (3CLPro and PLPro) by Molecular Docking and Dynamic Simulation Studies
inferred← citeshttps://doi.org/10.3390/v15020570openalex-snapshot
Fragment-Based Approaches Identified Tecovirimat-Competitive Novel Drug Candidate for Targeting the F13 Protein of the Monkeypox Virus
inferred← citeshttps://doi.org/10.34256/irjmt2152openalex-snapshot
Molecular docking and molecular dynamic simulation of phytochemical derived compounds as potential anti cancer agent against tyrosine kinase
inferred← citeshttps://doi.org/10.35118/apjmbb.2026.034.2.09openalex-snapshot
Computational insights into andrographolide and its possible role in prostate cancer
inferred← citeshttps://doi.org/10.3923/jbs.2017.369.380openalex-snapshot
Structure and Molecular Dynamic Regulation of FKBP35 from Plasmodium knowlesi by Structural Homology Modeling and Electron Microscopy
inferred← citeshttps://doi.org/10.4103/0976-500x.119711openalex-snapshot
Virtual screening studies reveal linarin as a potential natural inhibitor targeting CDK4 in retinoblastoma
inferred← citeshttps://doi.org/10.4155/fmc-2017-0197openalex-snapshot
Co-Inhibition as a Strategic Therapeutic Approach to Overcome Rifampin Resistance in Tuberculosis Therapy: Atomistic Insights
inferred← citeshttps://doi.org/10.46344/jbino.2021.v10i04.07openalex-snapshot
IN-SILICO DOCKING AND MOLECULAR DYNAMIC SIMULATION STUDIES OF NsP2 PROTEASE FROM CHIKUNGUNYA VIRUS
inferred← citeshttps://doi.org/10.56499/jppres21.1080_9.5.730openalex-snapshot
Natural products repurposing of the H5N1-based lead compounds for the most fit inhibitors against 3C-like protease of SARS-CoV-2
inferred← citeshttps://doi.org/10.56499/jppres23.1693_11.5.841openalex-snapshot
In silico targeting CYP51 of Naegleria fowleri using bioactive compounds from Indonesian plants
inferred← citeshttps://doi.org/10.64898/2026.02.19.706773openalex-snapshot
Drug Repurposing: A Potential Therapeutic Strategy for the Treatment of Chikugunya Virus
inferred← citeshttps://doi.org/10.70675/3a383abdz3be4z4a79z9164zb2cc0619d2ffopenalex-snapshot
Alloimmunisation anti-érythrocytaire et variants du système RH : nouvelles approches bioinformatiques
inferred← citeshttps://doi.org/10.7287/peerj.4013v0.1/reviews/1openalex-snapshot
Peer Review #1 of "PBxplore: a tool to analyze local protein structure and deformability with Protein Blocks (v0.1)"
inferred← citeshttps://doi.org/10.7287/peerj.4013v0.1/reviews/2openalex-snapshot
Peer Review #2 of "PBxplore: a tool to analyze local protein structure and deformability with Protein Blocks (v0.1)"
inferred← citeshttps://doi.org/10.7554/elife.107688openalex-snapshot
Ω-Loop mutations control dynamics of the active site by modulating the hydrogen-bonding network in PDC-3 β-lactamase
inferred← citeshttps://doi.org/10.7554/elife.107688.1openalex-snapshot
Ω-Loop mutations control dynamics of the active site by modulating the hydrogen-bonding network in PDC-3 β-lactamase
inferred← citeshttps://doi.org/10.7554/elife.107688.2openalex-snapshot
Ω-Loop mutations control dynamics of the active site by modulating the hydrogen-bonding network in PDC-3 β-lactamase
inferred← citeshttps://doi.org/10.7554/elife.107688.3openalex-snapshot
Ω-Loop mutations control dynamics of the active site by modulating the hydrogen-bonding network in PDC-3 β-lactamase
inferred← citeshttps://doi.org/10.7717/peerj.4013openalex-snapshot
PBxplore: a tool to analyze local protein structure and deformability with Protein Blocks
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.