Biblio

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2018
Buß O, Rudat J, Ochsenreither K.  2018.  FoldX as Protein Engineering Tool: Better Than Random Based Approaches? Comput Struct Biotechnol J. 16:25-33.
Carleton LA, Chakravarthy R, van der Sloot AM, Mnich K, Serrano L, Samali A, Gorman AM.  2018.  Generation of rationally-designed nerve growth factor (NGF) variants with receptor specificity.. Biochem Biophys Res Commun. 495(1):700-705.
Sumbalova L, Stourac J, Martinek T, Bednar D, Damborsky J.  2018.  HotSpot Wizard 3.0: web server for automated design of mutations and smart libraries based on sequence input information.. Nucleic Acids Res. 46(W1):W356-W362.
Buß O, Muller D, Jager S, Rudat J, Rabe KS.  2018.  Improvement in the Thermostability of a β-Amino Acid Converting ω-Transaminase by Using FoldX.. Chembiochem. 19(4):379-387.
Ang T-F, Salleh ABakar, Normi YM, Leow TChor.  2018.  In silico design of potentially functional artificial metallo-haloalkane dehalogenase containing catalytic zinc.. 3 Biotech. 8(7):314.
Rojas-Rengifo DF, Alvarez-Silva MCamila, Ulloa-Guerrero CP, Nuñez-Velez VLucía, Delgado MDel Pilar, Aguilera SMilena, Castro H, Jaramillo CAlberto, Barrios AFernando G.  2018.  Intramolecular energies of the cytotoxic protein CagA of Helicobacter pylori as a possible descriptor of strains' pathogenicity level.. Comput Biol Chem. 76:17-22.
Yenenler A, Venturini A, Burduroglu HCahit, Sezerman OUğur.  2018.  Investigating the structural properties of the active conformation BTL2 of a lipase from Geobacillus thermocatenulatus in toluene using molecular dynamic simulations and engineering BTL2 via in-silico mutation.. J Mol Model. 24(9):229.
Okumura A, Maruyama K, Shibata M, Kurahashi H, Ishii A, Numoto S, Hirose S, Kawai T, Iso M, Kataoka S et al..  2018.  A patient with a GNAO1 mutation with decreased spontaneous movements, hypotonia, and dystonic features.. Brain Dev.
Goethe M, Gleixner J, Fita I, J Rubi M.  2018.  Prediction of Protein Configurational Entropy (Popcoen).. J Chem Theory Comput. 14(3):1811-1819.
Hutapea HMartogi Lo, Maladan Y.  2018.  Relationship between HIV integrase polymorphisms and integrase inhibitor susceptibility: An analysis.. Heliyon. 4(12):e00956.
Usmanova DR, Bogatyreva NS, Bernad JAriño, Eremina AA, Gorshkova AA, Kanevskiy GM, Lonishin LR, Meister AV, Yakupova AG, Kondrashov FA et al..  2018.  Self-consistency test reveals systematic bias in programs for prediction change of stability upon mutation.. Bioinformatics.
Azadi S, Tafazzoli-Shadpour M, Omidvar R.  2018.  [Steered Molecular Dynamics Simulation Study of Quantified Effects of Point Mutation Induced by Breast Cancer on Mechanical Behavior of E-Cadherin].. Mol Biol (Mosk). 52(5):836-845.
Radusky L, Modenutti C, Delgado J, Bustamante JP, Vishnopolska S, Kiel C, Serrano L, Marti M, Turjanski A.  2018.  VarQ: A Tool for the Structural and Functional Analysis of Human Protein Variants.. Front Genet. 9:620.
2017
Gapsys V, de Groot BL.  2017.  Alchemical Free Energy Calculations for Nucleotide Mutations in Protein-DNA Complexes.. J Chem Theory Comput. 13(12):6275-6289.
Tomar JSingh, Peddinti RKrishna.  2017.  A. baumannii histone acetyl transferase Hpa2: optimization of homology modeling, analysis of protein-protein interaction and virtual screening.. J Biomol Struct Dyn. 35(5):1115-1126.
Xiong P, Zhang C, Zheng W, Zhang Y.  2017.  BindProfX: Assessing Mutation-Induced Binding Affinity Change by Protein Interface Profiles with Pseudo-Counts.. J Mol Biol. 429(3):426-434.
Jones BJ, Lim HYee, Huang J, Kazlauskas RJ.  2017.  Comparison of Five Protein Engineering Strategies for Stabilizing an α/β-Hydrolase.. Biochemistry. 56(50):6521-6532.
Kumar V, Rahman S, Choudhry H, Zamzami MA, Jamal MSarwar, Islam A, Ahmad F, Hassan MImtaiyaz.  2017.  Computing disease-linked SOD1 mutations: deciphering protein stability and patient-phenotype relations.. Sci Rep. 7(1):4678.
Li L, Ye Y, Sang P, Yin Y, Hu W, Wang J, Zhang C, Li D, Wan W, Li R et al..  2017.  Effect of R119G Mutation on Human P5CR1 Dynamic Property and Enzymatic Activity.. Biomed Res Int. 2017:4184106.
Nosrati M, Solbak S, Nordesjö O, Nissbeck M, Dourado DFAR, Andersson KG, Housaindokht MReza, Löfblom J, Virtanen A, U Danielson H et al..  2017.  Insights from engineering the Affibody-Fc interaction with a computational-experimental method.. Protein Eng Des Sel. 30(9):593-601.
Carlin DAlexander, Hapig-Ward S, Chan BWayne, Damrau N, Riley M, Caster RW, Bethards B, Siegel JB.  2017.  Thermal stability and kinetic constants for 129 variants of a family 1 glycoside hydrolase reveal that enzyme activity and stability can be separately designed.. PLoS One. 12(5):e0176255.