Pages that link to "Q52064388"
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The following pages link to Optimizing the hydrogen-bond network in Poisson-Boltzmann equation-based pK(a) calculations. (Q52064388):
Displaying 50 items.
- Designed human serum hyaluronidase 1 variant, HYAL1DeltaL, exhibits activity up to pH 5.9 (Q24314873) (← links)
- OmpT: molecular dynamics simulations of an outer membrane enzyme (Q24537903) (← links)
- The human Vps29 retromer component is a metallo-phosphoesterase for a cation-independent mannose 6-phosphate receptor substrate peptide (Q24669939) (← links)
- H++: a server for estimating pKas and adding missing hydrogens to macromolecules (Q24813167) (← links)
- New Biological Insights from Better Structure Models (Q26766568) (← links)
- Biomolecular electrostatics and solvation: a computational perspective (Q26853115) (← links)
- Systems modelling of NHEJ reveals the importance of redox regulation of Ku70/80 in the dynamics of dna damage foci (Q27317243) (← links)
- PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations (Q27861014) (← links)
- Drug design for ever, from hype to hope (Q28732341) (← links)
- Protein modification by acrolein: formation and stability of cysteine adducts (Q28749528) (← links)
- GMCT : A Monte Carlo simulation package for macromolecular receptors (Q29041457) (← links)
- Bayesian model aggregation for ensemble-based estimates of protein pKa values. (Q30352859) (← links)
- Protein dielectric constants determined from NMR chemical shift perturbations (Q30354510) (← links)
- Chemically accurate protein structures: validation of protein NMR structures by comparison of measured and predicted pKa values. (Q30355056) (← links)
- Factors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations. (Q30356246) (← links)
- Remeasuring HEWL pK(a) values by NMR spectroscopy: methods, analysis, accuracy, and implications for theoretical pK(a) calculations (Q30399241) (← links)
- Uncovering the determinants of a highly perturbed tyrosine pKa in the active site of ketosteroid isomerase (Q30682990) (← links)
- Benchmarking pK(a) prediction. (Q30817050) (← links)
- Acidic-basic properties of three alanine-based peptides containing acidic and basic side chains: comparison between theory and experiment (Q31162274) (← links)
- Statistics and physical origins of pK and ionization state changes upon protein-ligand binding (Q33696041) (← links)
- Polarizable atomic multipole x-ray refinement: hydration geometry and application to macromolecules (Q33908304) (← links)
- Protonation/deprotonation effects on the stability of the Trp-cage miniprotein (Q33966053) (← links)
- Active site detection by spatial conformity and electrostatic analysis--unravelling a proteolytic function in shrimp alkaline phosphatase (Q34103089) (← links)
- An accurate density functional theory based estimation of pK(a) values of polar residues combined with experimental data: from amino acids to minimal proteins (Q34159924) (← links)
- Combining conformational flexibility and continuum electrostatics for calculating pK(a)s in proteins (Q34178775) (← links)
- Differential geometry based solvation model I: Eulerian formulation (Q34183931) (← links)
- Ionization states of residues in OmpF and mutants: effects of dielectric constant and interactions between residues (Q34184737) (← links)
- Multiconformation continuum electrostatics analysis of the NhaA Na+/H+ antiporter of Escherichia coli with functional implications (Q34479637) (← links)
- Differential geometry based solvation model II: Lagrangian formulation (Q35041180) (← links)
- On the development of protein pKa calculation algorithms. (Q35353400) (← links)
- Proton affinity of the histidine-tryptophan cluster motif from the influenza A virus from ab initio molecular dynamics (Q35530080) (← links)
- Progress in the prediction of pKa values in proteins (Q35627466) (← links)
- Structural Insights Reveal the Dynamics of the Repeating r(CAG) Transcript Found in Huntington's Disease (HD) and Spinocerebellar Ataxias (SCAs) (Q35684183) (← links)
- Calculation of pKa in proteins with the microenvironment modulated‐screened coulomb potential (Q35846124) (← links)
- H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations (Q36088442) (← links)
- Influence of the Length of the Alanine Spacer on the Acidic-Basic Properties of the Ac-Lys-(Ala)(n)-Lys-NH(2) Peptides (n = 0, 1, 2, …, 5). (Q36434860) (← links)
- On the evaluation and optimization of protein X-ray structures for pKa calculations (Q36559778) (← links)
- Calculating pKa values in enzyme active sites (Q36572237) (← links)
- Computational methods for biomolecular electrostatics (Q36712976) (← links)
- Ca2+ activation of the cPLA2 C2 domain: ordered binding of two Ca2+ ions with positive cooperativity (Q36854412) (← links)
- Assessment of two theoretical methods to estimate potentiometric titration curves of peptides: comparison with experiment (Q36874132) (← links)
- A fast and accurate computational approach to protein ionization (Q36962666) (← links)
- Reproducing basic pKa values for turkey ovomucoid third domain using a polarizable force field (Q37336710) (← links)
- Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins (Q37737372) (← links)
- Electrostatics in Proteins and Protein–Ligand Complexes (Q37855834) (← links)
- Protonation and pK changes in protein-ligand binding. (Q38124417) (← links)
- Improvements to the APBS biomolecular solvation software suite (Q38610791) (← links)
- Using polarizable POSSIM force field and fuzzy-border continuum solvent model to calculate pK(a) shifts of protein residues (Q39245108) (← links)
- Energy Minimization of Discrete Protein Titration State Models Using Graph Theory (Q40958972) (← links)
- MIBPB: A software package for electrostatic analysis (Q41260030) (← links)