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cyp51A mutations, protein modeling, and efflux pump gene expression reveals multifactorial complexity towards understanding Aspergillus section Nigri azole resistance mechanism
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Immunoinformatics and computational approaches driven designing a novel vaccine candidate against Powassan virus
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Identification and prioritisation of potential vaccine candidates using subtractive proteomics and designing of a multi-epitope vaccine against Wuchereria bancrofti
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Immunoinformatics-guided approach for designing a pan-proteome multi-epitope subunit vaccine against African swine fever virus
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How AlphaFold2 shaped the structural coverage of the human transmembrane proteome
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Engineering and design of promising T-cell-based multi-epitope vaccine candidates against leishmaniasis
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Computational completion of the Aurora interaction region of N-Myc in the Aurora a kinase complex
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Enhanced antibody-antigen structure prediction from molecular docking using AlphaFold2
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Investigating the novel-binding site of RPA2 on Menin and predicting the effect of point mutation of Menin through protein–protein interactions
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IgG1 and IgG4 antibodies sample initial structure dependent local conformational states and exhibit non-identical Fab dynamics
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Accurate prediction by AlphaFold2 for ligand binding in a reductive dehalogenase and implications for PFAS (per- and polyfluoroalkyl substance) biodegradation
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In silico design of a polypeptide as a vaccine candidate against ascariasis
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Computational analysis of the sequence-structure relation in SARS-CoV-2 spike protein using protein contact networks
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Pan-kinome of Legionella expanded by a bioinformatics survey
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Structural informatic study of determined and AlphaFold2 predicted molecular structures of 13 human solute carrier transporters and their water-soluble QTY variants
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Low-resolution description of the conformational space for intrinsically disordered proteins
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ADGRL3 genomic variation implicated in neurogenesis and ADHD links functional effects to the incretin polypeptide GIP
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Massive annotation of bacterial l-asparaginases reveals their puzzling distribution and frequent gene transfer events
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Prediction of the structural interface between fibroblast growth factor23 and Burosumab using alanine scanning and molecular docking
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Estimation of model accuracy by a unique set of features and tree-based regressor
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S-Pred: protein structural property prediction using MSA transformer
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Inhibitor induced conformational changes in SARS-COV-2 papain-like protease
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Structural and biochemical analysis reveals how ferulic acid improves catalytic efficiency of Humicola grisea xylanase
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Structure and function of cancer-related developmentally regulated GTP-binding protein 1 (DRG1) is conserved between sponges and humans
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AlphaFold2 models indicate that protein sequence determines both structure and dynamics
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Mapping immunogenic epitopes of an adhesin-like protein from Methanobrevibacter ruminantium M1 and comparison of empirical data with in silico prediction methods
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Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble
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Dynamic insights into the effects of nonsynonymous polymorphisms (nsSNPs) on loss of TREM2 function
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Non-covalent Fc-Fab interactions significantly alter internal dynamics of an IgG1 antibody
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Human-to-dog transmission of SARS-CoV-2, Colombia
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First biphotochromic fluorescent protein moxSAASoti stabilized for oxidizing environment
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Reaching alignment-profile-based accuracy in predicting protein secondary and tertiary structural properties without alignment
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Enhancing protein inter-residue real distance prediction by scrutinising deep learning models
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Extracting phylogenetic dimensions of coevolution reveals hidden functional signals
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Revealing the molecular interplay of curcumin as Culex pipiens Acetylcholine esterase 1 (AChE1) inhibitor
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Concurrent mutations in RNA-dependent RNA polymerase and spike protein emerged as the epidemiologically most successful SARS-CoV-2 variant
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MULTICOM2 open-source protein structure prediction system powered by deep learning and distance prediction
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Insights into the substrate binding mechanism of SULT1A1 through molecular dynamics with excited normal modes simulations
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Critical assessment of coiled-coil predictions based on protein structure data
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DNCON2_Inter: predicting interchain contacts for homodimeric and homomultimeric protein complexes using multiple sequence alignments of monomers and deep learning
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Protein model accuracy estimation empowered by deep learning and inter-residue distance prediction in CASP14
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Understanding the influence of lipid bilayers and ligand molecules in determining the conformational dynamics of somatostatin receptor 2
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Resequencing and SNP discovery of Amur ide (Leuciscus waleckii) provides insights into local adaptations to extreme environments
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Exploring targeting peptide-shell interactions in encapsulin nanocompartments
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In silico analysis of epitope-based vaccine candidate against tuberculosis using reverse vaccinology
- Shaheen Bibi
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Structural insights and evaluation of the potential impact of missense variants on the interactions of SLIT2 with ROBO1/4 in cancer progression
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Characterization of a putative orexin receptor in Ciona intestinalis sheds light on the evolution of the orexin/hypocretin system in chordates