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Alexov, Emil
One or more keywords matched the following items that are connected to Alexov, Emil
Item TypeName
Concept Models, Molecular
Academic Article Calculated protein and proton motions coupled to electron transfer: electron transfer from QA- to QB in bacterial 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 Using multiple structure alignments, fast model building, and energetic analysis in fold recognition and homology modeling.
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 Electrostatic properties of protein-protein complexes.
Academic Article Comparative study of generalized born models: Born radii and peptide folding.
Academic Article Predicting 3D structures of transient protein-protein complexes by homology.
Academic Article PROTCOM: searchable database of protein complexes enhanced with domain-domain structures.
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 Structural and functional consequences of single amino acid substitutions in the pyrimidine base binding pocket of Escherichia coli CMP kinase.
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 Predicting interacting and interfacial residues using continuous sequence segments.
Academic Article Protein-protein interactions.
Academic Article Approaches and resources for prediction of the effects of non-synonymous single nucleotide polymorphism on protein function and interactions.
Academic Article Homology-based modeling of 3D structures of protein-protein complexes using alignments of modified sequence profiles.
Academic Article Electrostatic and lipid anchor contributions to the interaction of transducin with membranes: mechanistic implications for activation and translocation.
Academic Article Modeling effects of human single nucleotide polymorphisms on protein-protein interactions.
Academic Article Computational analysis of missense mutations causing Snyder-Robinson syndrome.
Academic Article Structural assessment of the effects of amino acid substitutions on protein stability and protein protein interaction.
Academic Article In silico and in vitro investigations of the mutability of disease-causing missense mutation sites in spermine synthase.
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 Analyzing effects of naturally occurring missense mutations.
Academic Article The role of protonation states in ligand-receptor recognition and binding.
Academic Article Protein Nano-Object Integrator (ProNOI) for generating atomic style objects for molecular modeling.
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 Structural and physico-chemical effects of disease and non-disease nsSNPs on proteins.
Academic Article Structural, Dynamical, and Energetical Consequences of Rett Syndrome Mutation R133C in MeCP2.
Academic Article Impact of Rett Syndrome Mutations on MeCP2 MBD Stability.
Academic Article Mutations in the KDM5C ARID Domain and Their Plausible Association with Syndromic Claes-Jensen-Type Disease.
Academic Article Revealing the Effects of Missense Mutations Causing Snyder-Robinson Syndrome on the Stability and Dimerization of Spermine Synthase.
Academic Article Multiscale method for modeling binding phenomena involving large objects: application to kinesin motor domains motion along microtubules.
Academic Article A New DelPhi Feature for Modeling Electrostatic Potential around Proteins: Role of Bound Ions and Implications for Zeta-Potential.
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 DelPhiForce web server: electrostatic forces and energy calculations and visualization.
Academic Article Novel Genetic Markers for Early Detection of Elevated Breast Cancer Risk in Women.
Academic Article BION-2: Predicting Positions of Non-Specifically Bound Ions on Protein Surface by a Gaussian-Based Treatment of Electrostatics.
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  • Models Molecular