Browsing by Author Kuyucak, Serdar

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Issue DateTitleAuthor(s)Citation
2011Ab initio calculation of the potential of mean force for dissociation of aqueous Ca-ClDe Castro, Alexandra; Kuyucak, Serdar; Timko, Jeff; Physics; Physics; PhysicsAb initio calculation of the potential of mean force for dissociation of aqueous Ca-Cl, Journal of Chemical Physics, vol.134, 20, 2011,pp 204510-1-204510-9
2010Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water ModelsBucher, Denis; Gray-Weale, Angus; Kuyucak, Serdar; Physics; Chemistry; PhysicsAb Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water Models, Journal of Chemical Theory and Computation, vol.6, 9, 2010,pp 2888-2895
2011Accurate determination of the Binding Free Energy for KcsA-Charybdotoxin Complex from the Potential of Mean Force Calculations with RestraintsChen, Po-Chia; Kuyucak, Serdar; Physics; PhysicsAccurate determination of the Binding Free Energy for KcsA-Charybdotoxin Complex from the Potential of Mean Force Calculations with Restraints, Biophysical Journal, vol.100, 10, 2011,pp 2466-2474
2012Affinity and selectivity of ShK toxin for the Kv1 potassium channels from free energy simulationsKuyucak, Serdar; Rashid, M; Physics; PhysicsAffinity and selectivity of ShK toxin for the Kv1 potassium channels from free energy simulations, The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol.116, 16, 2012,pp 4812-4822
2007Binding of organic cations to gramicidin a channel studied with AutoDock and molecular dynamics simulationsBastug, Turgut; Kuyucak, Serdar; Patra, Swarna; Physics; Physics; PhysicsBinding of organic cations to gramicidin a channel studied with AutoDock and molecular dynamics simulations, Journal of Physical Chemistry Part B, vol.111,(38),2007,pp 11303-11311
2017Biobetters From an Integrated Computational/Experimental ApproachKayser, Veysel; Kuyucak, Serdar; Pharmacy; PhysicsBiobetters From an Integrated Computational/Experimental Approach, Computational and Structural Biotechnology Journal, vol.15, N/A, 2017,pp 138-145
2012A C-terminally amidated analogue of ShK is a potent and selective blocker of the voltage-gated potassium channel Kv1.3Kuyucak, Serdar; Rashid, M; Beeton, Christine; Norton, Raymond; Pennington, Michael W.; Tajhya, Rajeev B.; Physics; PhysicsA C-terminally amidated analogue of ShK is a potent and selective blocker of the voltage-gated potassium channel Kv1.3, FEBS Letters, vol.586, 22, 2012,pp 3996-4001
2007Charge state of the fast gate in chloride channels: Insights from electrostatic calculations in a schematic modelCoorey, Nathan; Kuyucak, Serdar; Wijesinghe, Rajiv; Physics; Physics; PhysicsCharge state of the fast gate in chloride channels: Insights from electrostatic calculations in a schematic model, Journal of Chemical Physics, vol.127,(19),2007,pp 195102-1-195102-9
2011Comparative Study of the Energetics of Ion Permeation in Kv1.2 and KcsA Potassium ChannelsBastug, Turgut; Kuyucak, Serdar; Physics; PhysicsComparative Study of the Energetics of Ion Permeation in Kv1.2 and KcsA Potassium Channels, Biophysical Journal, vol.100, 3, 2011,pp 629-636
2014Computation of standard binding free energies of polar and charged ligands to the glutamate receptor glua2Heinzelmann, Germano; Kuyucak, Serdar; Chen, Po-Chia; Physics; PhysicsComputation of standard binding free energies of polar and charged ligands to the glutamate receptor glua2, The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol.118, 7, 2014,pp 1813-1824
2014Computational approaches for designing potent and selective analogs of peptide toxins as novel therapeuticsKuyucak, Serdar; Norton, Raymond; PhysicsComputational approaches for designing potent and selective analogs of peptide toxins as novel therapeutics, Future Medicinal Chemistry, vol.6, 15, 2014,pp 1645-1658
2016Computational Investigation of the Effect of Lipid Membranes on Ion Permeation in Gramicidin AKuyucak, Serdar; Setiadi, Jeffry; Physics; PhysicsComputational Investigation of the Effect of Lipid Membranes on Ion Permeation in Gramicidin A, Membranes, vol.6, 1, 2016,pp 1-12
2015Computational Studies of Glutamate TransportersKuyucak, Serdar; Setiadi, Jeffry; Heinzelmann, Germano; Physics; PhysicsComputational Studies of Glutamate Transporters, Biomolecules, vol.5, 4, 2015,pp 3067-3086
2013Computational studies of marine toxins targeting ion channelsKuyucak, Serdar; Mahdavi, Somayeh; Rashid, M; Physics; Physics; PhysicsComputational studies of marine toxins targeting ion channels, Marine Drugs, vol.11, 3, 2013,pp 848-869
2017Computational study of aggregation mechanism in human lysozyme[D67H]Kuyucak, Serdar; Patel, Dharmeshkumar; Physics; PhysicsComputational study of aggregation mechanism in human lysozyme[D67H], PloS One, vol.12, 5, 2017,pp 1-17
2016Computational Study of Binding of ?-Conotoxin GIIIA to Bacterial Sodium Channels NaVAb and NaVRhKuyucak, Serdar; Mahdavi, Somayeh; Patel, Dharmeshkumar; Physics; Physics; PhysicsComputational Study of Binding of ?-Conotoxin GIIIA to Bacterial Sodium Channels NaVAb and NaVRh, Biochemistry, vol.55, 12, 2016,pp 1929-1938
2016Computational Study of Binding of ?-Conotoxin GIIIA to Bacterial Sodium Channels NaVAb and NaVRhKuyucak, Serdar; Mahdavi, Somayeh; Patel, Dharmeshkumar; Physics; Physics; PhysicsComputational Study of Binding of ?-Conotoxin GIIIA to Bacterial Sodium Channels NaVAb and NaVRh, Biochemistry, vol.55, 12, 2016,pp 1929-1938
2017Computational study of the activity, dynamics, energetics and conformations of insulin analogues using molecular dynamics simulations: Application to hyperinsulinemia and the critical residue B26Kuncic, Zdenka; Kuyucak, Serdar; Papaioannou, Anastasios; Physics; Physics; PhysicsComputational study of the activity, dynamics, energetics and conformations of insulin analogues using molecular dynamics simulations: Application to hyperinsulinemia and the critical residue B26, Biochemistry and Biophysics Reports, vol.11, N/A, 2017,pp 182-190
2012Developing a comparative docking protocol for the prediction of peptide selectivity profiles: Investigation of potassium channel toxinsChen, Po-Chia; Kuyucak, Serdar; Physics; PhysicsDeveloping a comparative docking protocol for the prediction of peptide selectivity profiles: Investigation of potassium channel toxins, Toxins, vol.4, 2, 2012,pp 110-138
2010Dissociation of NaCl in water from ab initio molecular dynamics simulationsBucher, Denis; Kuyucak, Serdar; Timko, Jeff; Physics; Physics; PhysicsDissociation of NaCl in water from ab initio molecular dynamics simulations, Journal of Chemical Physics, vol.132, 11,pp 114510-1-114510-8