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S. Kuyucak · SciRah

Researcher profile · Semantic Scholar

S. Kuyucak

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S. Kuyucak — researcher profile on SciRah

h-index: 40
Works: 199
Citations: 5,568

Most-cited papers

Global redox proteome and phosphoproteome analysis reveals redox switch in Akt
Zhiduan Su, James G. Burchfield, Peng-Yi Yang, Sean J. Humphrey +20 more
2019Nature Communications128 citations Open access
Semantic Scholar
Dissociation of NaCl in water from ab initio molecular dynamics simulations.
J. Timko, Denis Bucher, S. Kuyucak
2010Journal of Chemical Physics128 citations
Semantic Scholar
Dielectric self-energy in Poisson-Boltzmann and Poisson-Nernst-Planck models of ion channels.
B. Corry, S. Kuyucak, Shin-Ho Chung
2003Biophysical Journal110 citations Open access
Semantic Scholar
Gramicidin A channel as a test ground for molecular dynamics force fields.
T. Allen, T. Baştuğ, S. Kuyucak, Shin-Ho Chung
2003Biophysical Journal102 citations Open access
Semantic Scholar
Recent advances in ion channel research.
Shin-Ho Chung, S. Kuyucak
2002Biochimica et Biophysica Acta100 citations Open access
Semantic Scholar
Functional properties of threefold and fourfold channels in ferritin deduced from electrostatic calculations.
Takuya Takahashi, S. Kuyucak
2003Biophysical Journal98 citations Open access
Semantic Scholar
Potential of mean force calculations of ligand binding to ion channels from Jarzynski's equality and umbrella sampling.
T. Baştuğ, Po-chia Chen, S. Patra, S. Kuyucak
2008Journal of Chemical Physics96 citations
Semantic Scholar
A potent and Kv1.3-selective analogue of the scorpion toxin HsTX1 as a potential therapeutic for autoimmune diseases
M. H. Rashid, Redwan Huq, Mark R. Tanner, S. Chhabra +8 more
2014Scientific Reports80 citations Open access
Semantic Scholar
Position of the Third Na+ Site in the Aspartate Transporter GltPh and the Human Glutamate Transporter, EAAT1
T. Baştuğ, Germano Heinzelmann, S. Kuyucak, Marietta Salim +2 more
2012PLoS ONE73 citations Open access
Semantic Scholar
Accurate determination of the binding free energy for KcsA-charybdotoxin complex from the potential of mean force calculations with restraints.
Po-chia Chen, S. Kuyucak
2011Biophysical Journal59 citations Open access
Semantic Scholar
A Potent and Selective Peptide Blocker of the Kv1.3 Channel: Prediction from Free-Energy Simulations and Experimental Confirmation
M. H. Rashid, Germano Heinzelmann, Redwan Huq, R. Tajhya +6 more
2013PLoS ONE58 citations Open access
Semantic Scholar
Affinity and selectivity of ShK toxin for the Kv1 potassium channels from free energy simulations.
M. H. Rashid, S. Kuyucak
2012Journal of Physical Chemistry B54 citations
Semantic Scholar
Polarization of water in the first hydration shell of K+ and Ca2+ ions.
Denis Bucher, S. Kuyucak
2008Journal of Physical Chemistry B48 citations
Semantic Scholar
Energetics of ion permeation, rejection, binding, and block in gramicidin A from free energy simulations.
T. Baştuğ, S. Kuyucak
2006Biophysical Journal45 citations Open access
Semantic Scholar
The Pore Domain Outer Helix Contributes to Both Activation and Inactivation of the hERG K+ Channel*
P. Ju, G. Pagés, R. Riek, Po-chia Chen +5 more
2009Journal of Biological Chemistry44 citations Open access
Semantic Scholar
Temperature dependence of the transport coefficients of ions from molecular dynamics simulations
T. Baştuğ, S. Kuyucak
200544 citations
Semantic Scholar
A C-terminally amidated analogue of ShK is a potent and selective blocker of the voltage-gated potassium channel Kv1.3
M. Pennington, M. H. Rashid, R. Tajhya, C. Beeton +2 more
2012FEBS Letters40 citations Open access
Semantic Scholar
Free energy simulations of single and double ion occupancy in gramicidin A.
T. Baştuğ, S. Kuyucak
2007Journal of Chemical Physics40 citations
Semantic Scholar
Role of protein flexibility in ion permeation: a case study in gramicidin A.
T. Baştuğ, A. Gray-Weale, S. Patra, S. Kuyucak
2006Biophysical Journal39 citations Open access
Semantic Scholar
Role of the dielectric constants of membrane proteins and channel water in ion permeation.
T. Baştuğ, S. Kuyucak
2003Biophysical Journal39 citations Open access
Semantic Scholar
Ab initio calculation of the potential of mean force for dissociation of aqueous Ca-Cl.
J. Timko, Alexandra Pinheiro de Castro, S. Kuyucak
2011Journal of Chemical Physics35 citations
Semantic Scholar
Free energy simulations of ligand binding to the aspartate transporter Glt(Ph).
Germano Heinzelmann, T. Baştuğ, S. Kuyucak
2011Biophysical Journal35 citations Open access
Semantic Scholar
Mechanism and energetics of charybdotoxin unbinding from a potassium channel from molecular dynamics simulations.
Po-chia Chen, S. Kuyucak
2009Biophysical Journal34 citations Open access
Semantic Scholar
Application of Jarzynski's equality in simple versus complex systems
T. Baştuğ, S. Kuyucak
200733 citations
Semantic Scholar
Computation of standard binding free energies of polar and charged ligands to the glutamate receptor GluA2.
Germano Heinzelmann, Po-chia Chen, S. Kuyucak
2014Journal of Physical Chemistry B30 citations
Semantic Scholar
Computational approaches for designing potent and selective analogs of peptide toxins as novel therapeutics
S. Kuyucak, R. Norton
2014Future Medicinal Chemistry30 citations Open access
Semantic Scholar
Modifying the catalytic preference of tributyrin in Bacillus thermocatenulatus lipase through in-silico modeling of enzyme-substrate complex.
Emel Durmaz, S. Kuyucak, U. Sezerman
2013Protein engineering, design & selection : PEDS30 citations
Semantic Scholar
Mechanism and energetics of ligand release in the aspartate transporter GltPh.
Germano Heinzelmann, T. Baştuğ, S. Kuyucak
2013Journal of Physical Chemistry B30 citations
Semantic Scholar
Computational Studies of Marine Toxins Targeting Ion Channels
M. H. Rashid, Somayeh Mahdavi, S. Kuyucak
2013Marine Drugs30 citations Open access
Semantic Scholar
Physics of Ion Channels
S. Kuyucak, T. Baştuğ
2003Journal of biological physics (Print)30 citations Open access
Semantic Scholar
Free energy simulations of binding of HsTx1 toxin to Kv1 potassium channels: the basis of Kv1.3/Kv1.1 selectivity.
M. H. Rashid, S. Kuyucak
2014Journal of Physical Chemistry B29 citations
Semantic Scholar
Ion channels: recent progress and prospects
Shin-Ho Chung, S. Kuyucak
2002European Biophysics Journal29 citations
Semantic Scholar
Force fields for simulating the interaction of surfaces with biological molecules
Lewis J Martin, M. Bilek, A. Weiss, S. Kuyucak
2016Interface Focus28 citations Open access
Semantic Scholar
Molecular Dynamics Study of Binding of µ-Conotoxin GIIIA to the Voltage-Gated Sodium Channel Nav1.4
Somayeh Mahdavi, S. Kuyucak
2014PLoS ONE28 citations Open access
Semantic Scholar
Molecular Dynamics Simulations of Insulin: Elucidating the Conformational Changes that Enable Its Binding
A. Papaioannou, S. Kuyucak, Z. Kuncic
2015PLoS ONE26 citations Open access
Semantic Scholar
Na+ Interactions with the Neutral Amino Acid Transporter ASCT1*
A. Scopelliti, Germano Heinzelmann, S. Kuyucak, R. Ryan +1 more
2014Journal of Biological Chemistry26 citations Open access
Semantic Scholar
Developing a Comparative Docking Protocol for the Prediction of Peptide Selectivity Proﬁles: Investigation of Potassium Channel Toxins
Po-chia Chen, S. Kuyucak
2012Toxins26 citations Open access
Semantic Scholar
Comparative study of the energetics of ion permeation in Kv1.2 and KcsA potassium channels.
T. Baştuğ, S. Kuyucak
2011Biophysical Journal26 citations Open access
Semantic Scholar
Modulation of Lymphocyte Potassium Channel KV1.3 by Membrane-Penetrating, Joint-Targeting Immunomodulatory Plant Defensin.
Seow Theng Ong, Saumya Bajaj, Mark R. Tanner, Shih-Chieh Chang +29 more
2020ACS Pharmacology & Translational Science22 citations Open access
Semantic Scholar
Mechanism of Ion Permeation in Mammalian Voltage-Gated Sodium Channels
Somayeh Mahdavi, S. Kuyucak
2015PLoS ONE22 citations Open access
Semantic Scholar
Why the Drosophila Shaker K+ channel is not a good model for ligand binding to voltage-gated Kv1 channels.
Somayeh Mahdavi, S. Kuyucak
2013Biochemistry22 citations
Semantic Scholar
Importance of the peptide backbone description in modeling the selectivity filter in potassium channels.
T. Baştuğ, S. Kuyucak
2009Biophysical Journal22 citations Open access
Semantic Scholar
Computational Study of Binding of μ-Conotoxin GIIIA to Bacterial Sodium Channels NaVAb and NaVRh.
Dharmeshkumar Patel, Somayeh Mahdavi, S. Kuyucak
2016Biochemistry21 citations
Semantic Scholar
Importance of water polarization for ion permeation in narrow pores
Denis Bucher, S. Kuyucak
200921 citations
Semantic Scholar
Systematic Study of Binding of µ-Conotoxins to the Sodium Channel NaV1.4
Somayeh Mahdavi, S. Kuyucak
2014Toxins20 citations Open access
Semantic Scholar
Molecular Dynamics Simulations of the Mammalian Glutamate Transporter EAAT3
Germano Heinzelmann, S. Kuyucak
2014PLoS ONE19 citations Open access
Semantic Scholar
Molecular dynamics and continuum electrostatics studies of inactivation in the HERG potassium channel.
R. Kutteh, J. Vandenberg, S. Kuyucak
2007Journal of Physical Chemistry B19 citations
Semantic Scholar
Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water Models.
Denis Bucher, A. Gray-Weale, S. Kuyucak
2010Journal of Chemical Theory and Computation18 citations
Semantic Scholar
Binding of organic cations to gramicidin A channel studied with AutoDock and molecular dynamics simulations.
S. Patra, T. Baştuğ, S. Kuyucak
2007Journal of Physical Chemistry B18 citations
Semantic Scholar
Molecular dynamics simulations of gramicidin A in a lipid bilayer: from structure-function relations to force fields.
T. Baştuğ, S. Patra, S. Kuyucak
2006Chemistry and Physics of Lipids17 citations
Semantic Scholar

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T. Baştuğ — researcher profile on SciRah
Germano Heinzelmann×7
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Po-chia Chen×6
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Somayeh Mahdavi×6
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Denis Bucher×4

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M. Pennington×4

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Shin-Ho Chung×3

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