Emil Alexov to Models, Chemical
This is a "connection" page, showing publications Emil Alexov has written about Models, Chemical.
Connection Strength
3.676
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DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate. Proteins. 2018 12; 86(12):1277-1283.
Score: 0.575
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Predicting Binding Free Energy Change Caused by Point Mutations with Knowledge-Modified MM/PBSA Method. PLoS Comput Biol. 2015 Jul; 11(7):e1004276.
Score: 0.457
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Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: the MEMPOT algorithm implemented in DelPhi. J Comput Chem. 2014 Jul 15; 35(19):1418-1429.
Score: 0.422
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Protein-protein interactions. Curr Pharm Biotechnol. 2008 Apr; 9(2):55-6.
Score: 0.276
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Approaches and resources for prediction of the effects of non-synonymous single nucleotide polymorphism on protein function and interactions. Curr Pharm Biotechnol. 2008 Apr; 9(2):123-33.
Score: 0.276
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Electrostatic control of the overall shape of calmodulin: numerical calculations. Eur Biophys J. 2007 Mar; 36(3):225-37.
Score: 0.255
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Poisson-Boltzmann calculations of nonspecific salt effects on protein-protein binding free energies. Biophys J. 2007 Mar 15; 92(6):1891-9.
Score: 0.254
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Electrostatic properties of protein-protein complexes. Biophys J. 2006 Sep 01; 91(5):1724-36.
Score: 0.244
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A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states. J Math Biol. 2019 07; 79(2):631-672.
Score: 0.149
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Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties. Biophys J. 1997 May; 72(5):2075-93.
Score: 0.130
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DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding. J Comput Chem. 2017 04 05; 38(9):584-593.
Score: 0.127
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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: 0.117
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Progress in the prediction of pKa values in proteins. Proteins. 2011 Dec; 79(12):3260-75.
Score: 0.088
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Developing hybrid approaches to predict pKa values of ionizable groups. Proteins. 2011 Dec; 79(12):3389-99.
Score: 0.087
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On the role of electrostatics in protein-protein interactions. Phys Biol. 2011 Jun; 8(3):035001.
Score: 0.086
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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: 0.054
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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: 0.040
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Calculated protein and proton motions coupled to electron transfer: electron transfer from QA- to QB in bacterial photosynthetic reaction centers. Biochemistry. 1999 Jun 29; 38(26):8253-70.
Score: 0.038