Biblio

Tiberti M, Terkelsen T, Degn K, Beltrame L, Cremers TCanter, da Piedade I, Di Marco M, Maiani E, Papaleo E.  2022.  MutateX: an automated pipeline for in silico saturation mutagenesis of protein structures and structural ensembles.. Brief Bioinform. 23(3)

García-Cebollada H, López A, Sancho J.  2022.  Protposer: The web server that readily proposes protein stabilizing mutations with high PPV.. Comput Struct Biotechnol J. 20:2415-2433.

Radusky LG, Serrano L.  2022.  pyFoldX: enabling biomolecular analysis and engineering along structural ensembles.. Bioinformatics. 38(8):2353-2355.

Cui H, Davari MD, Schwaneberg U.  2022.  Recombination of Single Beneficial Substitutions Obtained from Protein Engineering by Computer-Assisted Recombination (CompassR).. Methods Mol Biol. 2461:9-18.

Dolgikh B, Woldring D.  2022.  Site-wise Diversification of Combinatorial Libraries Using Insights from Structure-guided Stability Calculations.. Methods Mol Biol. 2491:63-73.

Hasnain MJawad Ul, Amin F, Ghani A, Ahmad S, Rahman Z, Aslam T, Pervez MTariq.  2022.  Structural and Functional Impact of Damaging Nonsynonymous Single Nucleotide Polymorphisms (nsSNPs) on Human VPS35 Protein Using Computational Approaches.. IEEE/ACM Trans Comput Biol Bioinform. 19(6):3715-3724.

Van Der Kant R, Louros N, Schymkowitz J, Rousseau F.  2022.  Thermodynamic analysis of amyloid fibril structures reveals a common framework for stability in amyloid polymorphs.. Structure. 30(8):1178-1189.e3.

Petrosino M, Novak L, Pasquo A, Chiaraluce R, Turina P, Capriotti E, Consalvi V.  2021.  Analysis and Interpretation of the Impact of Missense Variants in Cancer.. Int J Mol Sci. 22(11)

Vera AManuel, Galera-Prat A, Wojciechowski M, Różycki B, Laurents DV, Carrión-Vázquez M, Cieplak M, Tinnefeld P.  2021.  Cohesin-dockerin code in cellulosomal dual binding modes and its allosteric regulation by proline isomerization.. Structure. 29(6):587-597.e8.

Zhang C, Codina N, Tang J, Yu H, Chakroun N, Kozielski F, Dalby PA.  2021.  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.

Bi J, Jing X, Wu L, Zhou X, Gu J, Nie Y, Xu Y.  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.

Armaghan F, Hajihassan Z.  2021.  Engineering a variant of IL-17RA with high binding affinity to IL-17A for optimized immunotherapy.. Biotechnol Rep (Amst). 32:e00682.

Junk P, Kiel C.  2021.  Engineering of Biological Pathways: Complex Formation and Signal Transduction.. Methods Mol Biol. 2315:59-70.

Zhao Y, Li D, Bai X, Luo M, Feng Y, Zhao Y, Ma F, Yang G-Y.  2021.  Improved thermostability of proteinase K and recognizing the synergistic effect of Rosetta and FoldX approaches.. Protein Eng Des Sel. 34

Wu X, Craik DJ, Kaas Q.  2021.  Interactions of Globular and Ribbon [γ4E]GID with α4β2 Neuronal Nicotinic Acetylcholine Receptor.. Mar Drugs. 19(9)

Ying Y, Hong X, Xu X, Zhang J, He J, Zhu F, Xie X.  2021.  Mechanism evaluation for an amino acid substitution p.Y246C of B-glycosyltransferase enzyme with Bweak phenotype.. Vox Sang. 116(4):464-470.

Yang P-K, Liang X-Y, Lin M, Chen J-T, Huang H-Y, Lin L-Y, Ehapo CSalas, Eyi UMonsuy, Zheng Y-Z, De Xie D- et al..  2021.  Population genetic analysis of the Plasmodium falciparum erythrocyte binding antigen-175 (EBA-175) gene in Equatorial Guinea.. Malar J. 20(1):374.

Kochhar A, Khan NSaba, Deval R, Pradhan D, Jena L, Bhuyan R, Sahu TKumar, Jain AKumar.  2021.  Protein-protein interaction and in silico mutagenesis studies on IL17A and its peptide inhibitor.. 3 Biotech. 11(6):305.

Dutta K, Elmezayen AD, Al-Obaidi A, Zhu W, Morozova OV, Shityakov S, Khalifa I.  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.

Bahia MSingh, Khazanov N, Zhou Q, Yang Z, Wang C, Hong JS, Rab A, Sorscher EJ, Brouillette CG, Hunt JF et al..  2021.  Stability Prediction for Mutations in the Cytosolic Domains of Cystic Fibrosis Transmembrane Conductance Regulator.. J Chem Inf Model. 61(4):1762-1777.

Gonzalez TR, Martin KP, Barnes JE, Patel JSuresh, F Ytreberg M.  2020.  Assessment of software methods for estimating protein-protein relative binding affinities.. PLoS One. 15(12):e0240573.

Bi J, Chen S, Zhao X, Nie Y, Xu Y.  2020.  Computation-aided engineering of starch-debranching pullulanase from Bacillus thermoleovorans for enhanced thermostability.. Appl Microbiol Biotechnol. 104(17):7551-7562.

Chen F, Chen X, Jiang F, Leng F, Liu W, Gui Y, Yu J.  2020.  Computational analysis of androgen receptor (AR) variants to decipher the relationship between protein stability and related-diseases.. Sci Rep. 10(1):12101.

Rasafar N, Barzegar A, Aghdam EMehdizadeh.  2020.  Design and development of high affinity dual anticancer peptide-inhibitors against p53-MDM2/X interaction.. Life Sci. 245:117358.

Kalman ZE, Mészáros B, Gáspári Z, Dobson L.  2020.  Distribution of disease-causing germline mutations in coiled-coils implies an important role of their N-terminal region.. Sci Rep. 10(1):17333.