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Alexov, Emil
One or more keywords matched the following items that are connected to Alexov, Emil
Item TypeName
Concept Protons
Concept Hydrogen-Ion Concentration
Academic Article Analysis of electrostatic interactions in ribonuclease A monoclinic crystal.
Academic Article Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties.
Academic Article Calculated protein and proton motions coupled to electron transfer: electron transfer from QA- to QB in bacterial photosynthetic reaction centers.
Academic Article A pragmatic approach to structure based calculation of coupled proton and electron transfer in proteins.
Academic Article Key role of proline L209 in connecting the distant quinone pockets in the reaction center of Rhodobacter sphaeroides.
Academic Article Numerical calculations of the pH of maximal protein stability. The effect of the sequence composition and three-dimensional structure.
Academic Article Experimental and numerical study of the poplar plastocyanin isoforms using Tyr as a probe for electrostatic similarity and dissimilarity.
Academic Article 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.
Academic Article Characterizing a partially folded intermediate of the villin headpiece domain under non-denaturing conditions: contribution of His41 to the pH-dependent stability of the N-terminal subdomain.
Academic Article Calculation of pKas in RNA: on the structural origins and functional roles of protonated nucleotides.
Academic Article Assessing the quality of the homology-modeled 3D structures from electrostatic standpoint: test on bacterial nucleoside monophosphate kinase families.
Academic Article Optimization of electrostatic interactions in protein-protein complexes.
Academic Article On the pH-optimum of activity and stability of proteins.
Academic Article In silico modeling of pH-optimum of protein-protein binding.
Academic Article On the role of electrostatics in protein-protein interactions.
Academic Article Developing hybrid approaches to predict pKa values of ionizable groups.
Academic Article Progress in the prediction of pKa values in proteins.
Academic Article The role of protonation states in ligand-receptor recognition and binding.
Academic Article Protonation and pK changes in protein-ligand binding.
Academic Article Computational investigation of proton transfer, pKa shifts and pH-optimum of protein-DNA and protein-RNA complexes.
Academic Article A New DelPhi Feature for Modeling Electrostatic Potential around Proteins: Role of Bound Ions and Implications for Zeta-Potential.
Academic Article DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate.
Academic Article PKAD: a database of experimentally measured pKa values of ionizable groups in proteins.
Academic Article Computational Investigation of the pH Dependence of Stability of Melanosome Proteins: Implication for Melanosome formation and Disease.
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