review article | Q7318358 |
scholarly article | Q13442814 |
P2093 | author name string | Donald Bashford | |
P433 | issue | 1-3 | |
P304 | page(s) | 1082-1099 | |
P577 | publication date | 2004-05-01 | |
P1433 | published in | Frontiers in Bioscience | Q5506062 |
P1476 | title | Macroscopic electrostatic models for protonation states in proteins | |
P478 | volume | 9 |
Q36962666 | A fast and accurate computational approach to protein ionization |
Q36402214 | A method to determine dielectric constants in nonhomogeneous systems: application to biological membranes |
Q27676072 | Analysis of the Active-Site Mechanism of Tyrosyl-DNA Phosphodiesterase I: A Member of the Phospholipase D Superfamily |
Q43069600 | Analysis of the electrochemistry of hemes with E(m)s spanning 800 mV. |
Q33476946 | Analysis of the interplay among charge, hydration and shape of proteins through the modeling of their CZE mobility data |
Q46389193 | Benchmarking pKa prediction methods for Lys115 in acetoacetate decarboxylase |
Q34257034 | Blind prediction of host-guest binding affinities: a new SAMPL3 challenge. |
Q42566624 | Calculating pH-dependent free energy of proteins by using Monte Carlo protonation probabilities of ionizable residues |
Q33772584 | Cloning, expression, and physicochemical characterization of a new diheme cytochrome c from Shewanella baltica OS155. |
Q36217814 | Computation of pH-dependent binding free energies |
Q36712976 | Computational methods for biomolecular electrostatics |
Q40676497 | Conformational and oligomeric effects on the cysteine pK(a) of tryparedoxin peroxidase |
Q36546322 | Conformational variability of organophosphorus hydrolase upon soman and paraoxon binding. |
Q35382958 | Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism |
Q37737372 | Continuum Electrostatics Approaches to Calculating pKas and Ems in Proteins |
Q30388540 | Continuum electrostatic calculations of the pKa of ionizable residues in an ion channel: dynamic vs. static input structure. |
Q42035856 | Coupling Constant pH Molecular Dynamics with Accelerated Molecular Dynamics |
Q57120067 | DelPhiPKa: Including salt in the calculations and enabling polar residues to titrate |
Q37150073 | Dielectric relaxation in proteins: the computational perspective |
Q50484950 | Electrostatics of Cytochrome-c assemblies. |
Q30356246 | Factors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations. |
Q29041457 | GMCT : A Monte Carlo simulation package for macromolecular receptors |
Q34030755 | Global conformations of proteins as predicted from the modeling of their CZE mobility data |
Q51966696 | How to improve nature: study of the electrostatic properties of the surface of alpha-lactalbumin. |
Q38790090 | IGF2BP1: a novel binding protein of p38 MAPK. |
Q38246401 | Implicit solvent methods for free energy estimation. |
Q37008245 | Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics |
Q30387461 | Influence of V54M mutation in giant muscle protein titin: a computational screening and molecular dynamics approach. |
Q51532804 | MCCE analysis of the pKas of introduced buried acids and bases in staphylococcal nuclease. |
Q42541149 | MCCE2: improving protein pKa calculations with extensive side chain rotamer sampling |
Q27664296 | Mechanisms underlying dioxygen reduction in laccases. Structural and modelling studies focusing on proton transfer |
Q30903257 | Membrane environment modulates the pKa values of transmembrane helices |
Q47560680 | Model for screened, charge-regulated electrostatics of an eye lens protein: Bovine gammaB-crystallin |
Q28287439 | Molecular mechanisms for generating transmembrane proton gradients |
Q42722248 | Normal mode analysis of the spectral density of the Fenna-Matthews-Olson light-harvesting protein: how the protein dissipates the excess energy of excitons |
Q24812137 | PCE: web tools to compute protein continuum electrostatics |
Q41960881 | PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics |
Q34974239 | PHEPS: web-based pH-dependent Protein Electrostatics Server |
Q40608504 | Photosystem II does not possess a simple excitation energy funnel: time-resolved fluorescence spectroscopy meets theory |
Q35541836 | Predicting extreme pKa shifts in staphylococcal nuclease mutants with constant pH molecular dynamics |
Q36047365 | Predicting nonspecific ion binding using DelPhi |
Q40014209 | Predicting pKa values with continuous constant pH molecular dynamics |
Q30367869 | Prediction of reversibly oxidized protein cysteine thiols using protein structure properties |
Q30368994 | Protein structure analysis online. |
Q46592807 | Semi-continuum electrostatic calculations of redox potentials in photosystem I. |
Q37948589 | Simulation of multihaem cytochromes |
Q39717727 | Spatial distribution of dielectric shielding in the interior of Pyrococcus furiosus rubredoxin as sampled in the subnanosecond timeframe by hydrogen exchange |
Q50788857 | Statistical investigation of surface bound ions and further development of BION server to include pH and salt dependence. |
Q42215718 | Structural and electrostatic asymmetry at the active site in typical and atypical peroxiredoxin dimers. |
Q89749974 | Structural basis of light-harvesting in the photosystem II core complex |
Q48647572 | Structure-based simulation of linear optical spectra of the CP43 core antenna of photosystem II. |
Q42155548 | The measured and calculated affinity of methyl- and methoxy-substituted benzoquinones for the Q(A) site of bacterial reaction centers |
Q42105696 | The pH-dependent conformational states of kyotorphin: a constant-pH molecular dynamics study |
Q37946320 | The pKa Cooperative: a collaborative effort to advance structure-based calculations of pKa values and electrostatic effects in proteins |
Q33345961 | Theory of solvatochromic shifts in nonpolar solvents reveals a new spectroscopic rule |
Q35866766 | Thermodynamic coupling of protonation and conformational equilibria in proteins: theory and simulation |
Q39476830 | Understanding photosynthetic light-harvesting: a bottom up theoretical approach. |
Q35753737 | Unfolding of beta-sheet proteins in SDS |
Q47680070 | irGPU.proton.Net: Irregular strong charge interaction networks of protonatable groups in protein molecules--a GPU solver using the fast multipole method and statistical thermodynamics |
Q42147734 | pKa predictions for proteins, RNAs, and DNAs with the Gaussian dielectric function using DelPhi pKa. |
Search more.