Found 145 results
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.
Wang R, Wang S, Xu Y, Yu X.  2020.  Enhancing the thermostability of Rhizopus chinensis lipase by rational design and MD simulations.. Int J Biol Macromol. 160:1189-1200.
Karthikeyan V, Vickram AS, Manian R.  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.
Huang P, Chu SKS, Frizzo HN, Connolly MP, Caster RW, Siegel JB.  2020.  Evaluating Protein Engineering Thermostability Prediction Tools Using an Independently Generated Dataset.. ACS Omega. 5(12):6487-6493.
M Rahman S, M Islam R, Alam ASMRubaye, Islam I, M Hoque N, Akter S, Rahaman MMizanur, Sultana M, M Hossain A.  2020.  Evolutionary dynamics of SARS-CoV-2 nucleocapsid protein and its consequences.. J Med Virol.
Othman H, Bouslama Z, Brandenburg J-T, da Rocha J, Hamdi, sr Y, Ghedira K, Srairi-Abid N, Hazelhurst S.  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.
Chitongo R, Obasa AEmmanuel, Mikasi SGiven, Jacobs GBrendon, Cloete R.  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.
S UKumar, R B, D TKumar, C Doss GPriya, Zayed H.  2020.  Mutational landscape of K-Ras substitutions at 12th position-a systematic molecular dynamics approach.. J Biomol Struct Dyn. :1-15.
PDBe-KB consortium.  2020.  PDBe-KB: a community-driven resource for structural and functional annotations.. Nucleic Acids Res. 48(D1):D344-D353.
Yang J, Naik N, Patel JSuresh, Wylie CS, Gu W, Huang J, F Ytreberg M, Naik MT, Weinreich DM, Rubenstein BM.  2020.  Predicting the viability of beta-lactamase: How folding and binding free energies correlate with beta-lactamase fitness.. PLoS One. 15(5):e0233509.