Biblio
Found 145 results
Comparison of the pH- and thermally-induced fluctuations of a therapeutic antibody Fab fragment by molecular dynamics simulation.. Comput Struct Biotechnol J. 19:2726-2741.
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2021. Computational design of noncanonical amino acid-based thioether staples at N/C-terminal domains of multi-modular pullulanase for thermostabilization in enzyme catalysis.. Comput Struct Biotechnol J. 19:577-585.
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2021. Engineering a variant of IL-17RA with high binding affinity to IL-17A for optimized immunotherapy.. Biotechnol Rep (Amst). 32:e00682.
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2021. Engineering of Biological Pathways: Complex Formation and Signal Transduction.. Methods Mol Biol. 2315:59-70.
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2021. Improved thermostability of proteinase K and recognizing the synergistic effect of Rosetta and FoldX approaches.. Protein Eng Des Sel. 34
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2021. Interactions of Globular and Ribbon [γ4E]GID with α4β2 Neuronal Nicotinic Acetylcholine Receptor.. Mar Drugs. 19(9)
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2021. Mechanism evaluation for an amino acid substitution p.Y246C of B-glycosyltransferase enzyme with Bweak phenotype.. Vox Sang. 116(4):464-470.
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2021. Population genetic analysis of the Plasmodium falciparum erythrocyte binding antigen-175 (EBA-175) gene in Equatorial Guinea.. Malar J. 20(1):374.
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2021. Protein-protein interaction and in silico mutagenesis studies on IL17A and its peptide inhibitor.. 3 Biotech. 11(6):305.
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2021. Seq12, Seq12m, and Seq13m, peptide analogues of the spike glycoprotein shows antiviral properties against SARS-CoV-2: An study through molecular docking, molecular dynamics simulation, and MM-PB/GBSA calculations.. J Mol Struct. 1246:131113.
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2021. Stability Prediction for Mutations in the Cytosolic Domains of Cystic Fibrosis Transmembrane Conductance Regulator.. J Chem Inf Model. 61(4):1762-1777.
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2021. Assessment of software methods for estimating protein-protein relative binding affinities.. PLoS One. 15(12):e0240573.
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2020. Computation-aided engineering of starch-debranching pullulanase from Bacillus thermoleovorans for enhanced thermostability.. Appl Microbiol Biotechnol. 104(17):7551-7562.
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2020. Computational analysis of androgen receptor (AR) variants to decipher the relationship between protein stability and related-diseases.. Sci Rep. 10(1):12101.
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2020. Design and development of high affinity dual anticancer peptide-inhibitors against p53-MDM2/X interaction.. Life Sci. 245:117358.
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2020. Distribution of disease-causing germline mutations in coiled-coils implies an important role of their N-terminal region.. Sci Rep. 10(1):17333.
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2020. Enhancing the thermostability of Rhizopus chinensis lipase by rational design and MD simulations.. Int J Biol Macromol. 160:1189-1200.
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2020. Estimation of varicocele associated human ARG2 and NOS1 proteins and computational analysis on the effect of its nsSNPs.. Int J Biol Macromol. 164:735-747.
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2020. Evaluating Protein Engineering Thermostability Prediction Tools Using an Independently Generated Dataset.. ACS Omega. 5(12):6487-6493.
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2020. Interaction of the spike protein RBD from SARS-CoV-2 with ACE2: Similarity with SARS-CoV, hot-spot analysis and effect of the receptor polymorphism.. Biochem Biophys Res Commun. 527(3):702-708.
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2020. Molecular dynamic simulations to investigate the structural impact of known drug resistance mutations on HIV-1C Integrase-Dolutegravir binding.. PLoS One. 15(5):e0223464.
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2020. Mutational landscape of K-Ras substitutions at 12th position-a systematic molecular dynamics approach.. J Biomol Struct Dyn. :1-15.
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2020. PDBe-KB: a community-driven resource for structural and functional annotations.. Nucleic Acids Res. 48(D1):D344-D353.
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