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One or more keywords matched the following items that are connected to Alexov, Emil
Item TypeName
Concept Static Electricity
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 Modeling the effects of mutations on the free energy of the first electron transfer from QA- to QB in photosynthetic reaction centers.
Academic Article Role of the protein side-chain fluctuations on the strength of pair-wise electrostatic interactions: comparing experimental with computed pK(a)s.
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 Comparative study of the stability of poplar plastocyanin isoforms.
Academic Article Electrostatic properties of protein-protein complexes.
Academic Article Poisson-Boltzmann calculations of nonspecific salt effects on protein-protein binding free energies.
Academic Article Calculation of pKas in RNA: on the structural origins and functional roles of protonated nucleotides.
Academic Article Electrostatic control of the overall shape of calmodulin: numerical calculations.
Academic Article BANMOKI: a searchable database of homology-based 3D models and their electrostatic properties of five bacterial nucleoside monophosphate kinase families.
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 Protein structure analysis online.
Academic Article Modeling effects of human single nucleotide polymorphisms on protein-protein interactions.
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 DelPhi web server v2: incorporating atomic-style geometrical figures into the computational protocol.
Academic Article Highly efficient and exact method for parallelization of grid-based algorithms and its implementation in DelPhi.
Academic Article Predicting nonspecific ion binding using DelPhi.
Academic Article Protein Nano-Object Integrator (ProNOI) for generating atomic style objects for molecular modeling.
Academic Article BION web server: predicting non-specifically bound surface ions.
Academic Article Enhancing human spermine synthase activity by engineered mutations.
Academic Article Continuous development of schemes for parallel computing of the electrostatics in biological systems: implementation in DelPhi.
Academic Article Structural and energetic determinants of tyrosylprotein sulfotransferase sulfation specificity.
Academic Article Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: the MEMPOT algorithm implemented in DelPhi.
Academic Article Structural, Dynamical, and Energetical Consequences of Rett Syndrome Mutation R133C in MeCP2.
Academic Article pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa.
Academic Article Statistical investigation of surface bound ions and further development of BION server to include pH and salt dependence.
Academic Article DelPhiPKa web server: predicting pKa of proteins, RNAs and DNAs.
Academic Article Multiscale method for modeling binding phenomena involving large objects: application to kinesin motor domains motion along microtubules.
Academic Article Cytoplasmic dynein binding, run length, and velocity are guided by long-range electrostatic interactions.
Academic Article Computational investigation of proton transfer, pKa shifts and pH-optimum of protein-DNA and protein-RNA complexes.
Academic Article Cofactors-loaded quaternary structure of lysine-specific demethylase 5C (KDM5C) protein: Computational model.
Academic Article DelPhiForce, a tool for electrostatic force calculations: Applications to macromolecular binding.
Academic Article A New DelPhi Feature for Modeling Electrostatic Potential around Proteins: Role of Bound Ions and Implications for Zeta-Potential.
Academic Article Cytoskeletal-like Filaments of Ca2+-Calmodulin-Dependent Protein Kinase II Are Formed in a Regulated and Zn2+-Dependent Manner.
Academic Article Forces and Disease: Electrostatic force differences caused by mutations in kinesin motor domains can distinguish between disease-causing and non-disease-causing mutations.
Academic Article E-hooks provide guidance and a soft landing for the microtubule binding domain of dynein.
Academic Article DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate.
Academic Article A super-Gaussian Poisson-Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states.
Academic Article A Newton-like iterative method implemented in the DelPhi for solving the nonlinear Poisson-Boltzmann equation.
Academic Article BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics.
Academic Article On regularization of charge singularities in solving the Poisson-Boltzmann equation with a smooth solute-solvent boundary.
Academic Article Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi.
Academic Article Electrostatics in Computational Biophysics and Its Implications for Disease Effects.
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