Biblio

Found 161 results
2021
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.
2020
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.
Zhang N, Lu H, Chen Y, Zhu Z, Yang Q, Wang S, Li M.  2020.  PremPRI: Predicting the Effects of Missense Mutations on Protein-RNA Interactions.. Int J Mol Sci. 21(15)
Cianferoni D, Radusky LG, Head SA, Serrano L, Delgado J.  2020.  ProteinFishing: a protein complex generator within the ModelX toolsuite.. Bioinformatics. 36(14):4208-4210.
Choudhuri KSankar Roy, Mishra S.  2020.  Structural basis of BMP-2 and BMP-7 interactions with antagonists Gremlin-1 and Noggin in Glioblastoma tumors.. J Comput Chem.
Amengual-Rigo P, Fernández-Recio J, Guallar V.  2020.  UEP: an open-source and fast classifier for predicting the impact of mutations in protein-protein complexes.. Bioinformatics.
2019
Yu T-G, Kim H-S, Choi Y.  2019.  B-SIDER: Computational Algorithm for the Design of Complementary β-Sheet Sequences.. J Chem Inf Model. 59(10):4504-4511.
Cui H, Cao H, Cai H, Karl-Erich J, Davari MDolatabadi, Schwaneberg U.  2019.  Computer-assisted Recombination (CompassR) teaches us how to recombine beneficial substitutions from directed evolution campaigns.. Chemistry.
Shang X, Nelson DC.  2019.  Contributions of Net Charge on the PlyC Endolysin CHAP Domain.. Antibiotics (Basel). 8(2)
Fang X, Huang J, Zhang R, Wang F, Zhang Q, Li G, Yan J, Zhang H, Yan Y, Xu L.  2019.  Convolution Neural Network-Based Prediction of Protein Thermostability.. J Chem Inf Model.
Scheps KG, Hasenahuer MA, Parisi G, Targovnik HM, Fornasari MS.  2019.  Curating the gnomAD database: Report of novel variants in the globin-coding genes and bioinformatics analysis.. Hum Mutat.