Emil Alexov to Thermodynamics
This is a "connection" page, showing publications Emil Alexov has written about Thermodynamics.
Connection Strength
2.773
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SAAFEC: Predicting the Effect of Single Point Mutations on Protein Folding Free Energy Using a Knowledge-Modified MM/PBSA Approach. Int J Mol Sci. 2016 Apr 07; 17(4):512.
Score: 0.509
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SAAFEC-SEQ: A Sequence-Based Method for Predicting the Effect of Single Point Mutations on Protein Thermodynamic Stability. Int J Mol Sci. 2021 Jan 09; 22(2).
Score: 0.177
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DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate. Proteins. 2018 12; 86(12):1277-1283.
Score: 0.152
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Predicting protein-DNA binding free energy change upon missense mutations using modified MM/PBSA approach: SAMPDI webserver. Bioinformatics. 2018 03 01; 34(5):779-786.
Score: 0.145
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Computational investigation of proton transfer, pKa shifts and pH-optimum of protein-DNA and protein-RNA complexes. Proteins. 2017 Feb; 85(2):282-295.
Score: 0.134
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Cofactors-loaded quaternary structure of lysine-specific demethylase 5C (KDM5C) protein: Computational model. Proteins. 2016 12; 84(12):1797-1809.
Score: 0.132
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SAAMBE: Webserver to Predict the Charge of Binding Free Energy Caused by Amino Acids Mutations. Int J Mol Sci. 2016 Apr 12; 17(4):547.
Score: 0.127
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Investigating the linkage between disease-causing amino acid variants and their effect on protein stability and binding. Proteins. 2016 Feb; 84(2):232-9.
Score: 0.125
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pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa. Proteins. 2015 Dec; 83(12):2186-97.
Score: 0.123
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Impact of Rett Syndrome Mutations on MeCP2 MBD Stability. Biochemistry. 2015 Oct 20; 54(41):6357-68.
Score: 0.123
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On human disease-causing amino acid variants: statistical study of sequence and structural patterns. Hum Mutat. 2015 May; 36(5):524-534.
Score: 0.119
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Protein Nano-Object Integrator (ProNOI) for generating atomic style objects for molecular modeling. BMC Struct Biol. 2012 Dec 05; 12:31.
Score: 0.101
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Highly efficient and exact method for parallelization of grid-based algorithms and its implementation in DelPhi. J Comput Chem. 2012 Sep 15; 33(24):1960-6.
Score: 0.098
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Predicting folding free energy changes upon single point mutations. Bioinformatics. 2012 Mar 01; 28(5):664-71.
Score: 0.095
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Developing hybrid approaches to predict pKa values of ionizable groups. Proteins. 2011 Dec; 79(12):3389-99.
Score: 0.092
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Computational analysis of missense mutations causing Snyder-Robinson syndrome. Hum Mutat. 2010 Sep; 31(9):1043-9.
Score: 0.086
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Optimization of electrostatic interactions in protein-protein complexes. Biophys J. 2007 Nov 15; 93(10):3340-52.
Score: 0.070
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Calculating proton uptake/release and binding free energy taking into account ionization and conformation changes induced by protein-inhibitor association: application to plasmepsin, cathepsin D and endothiapepsin-pepstatin complexes. Proteins. 2004 Aug 15; 56(3):572-84.
Score: 0.057
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Numerical calculations of the pH of maximal protein stability. The effect of the sequence composition and three-dimensional structure. Eur J Biochem. 2004 Jan; 271(1):173-85.
Score: 0.054
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Modeling the effects of mutations on the free energy of the first electron transfer from QA- to QB in photosynthetic reaction centers. Biochemistry. 2000 May 23; 39(20):5940-52.
Score: 0.042
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A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins. Biochim Biophys Acta. 2000 May 12; 1458(1):63-87.
Score: 0.042
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Structural Perspective on Revealing and Altering Molecular Functions of Genetic Variants Linked with Diseases. Int J Mol Sci. 2019 Jan 28; 20(3).
Score: 0.039
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Selective absorption of radio frequency energy due to collective motion of charged domains: case of lysozyme crystal. J Biomol Struct Dyn. 1995 Oct; 13(2):219-28.
Score: 0.031
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Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approach. PLoS One. 2014; 9(10):e110884.
Score: 0.029
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Cancer missense mutations alter binding properties of proteins and their interaction networks. PLoS One. 2013; 8(6):e66273.
Score: 0.026
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Calculation of pKas in RNA: on the structural origins and functional roles of protonated nucleotides. J Mol Biol. 2007 Mar 09; 366(5):1475-96.
Score: 0.017
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Comparative study of generalized born models: Born radii and peptide folding. J Phys Chem B. 2005 Feb 24; 109(7):3008-22.
Score: 0.015
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Using multiple structure alignments, fast model building, and energetic analysis in fold recognition and homology modeling. Proteins. 2003; 53 Suppl 6:430-5.
Score: 0.013