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Peter M. Kekenes-Huskey - Publications

Affiliations: 
University of California, San Diego, La Jolla, CA 
Area:
simulation
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67 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Cleary SR, Teng ACT, Kongmeneck AD, Fang X, Phillips TA, Cho EE, Kekenes-Huskey P, Gramolini AO, Robia SL. Dilated cardiomyopathy variant R14del increases phospholamban pentamer stability, blunting dynamic regulation of cardiac calcium handling. Biorxiv : the Preprint Server For Biology. PMID 37292897 DOI: 10.1101/2023.05.26.542463  0.306
2023 Williams RB, Alam Afsar MN, Tikunova S, Kou Y, Fang X, Somarathne RP, Gyawu RF, Knotts GM, Agee TA, Garcia SA, Losordo LD, Fitzkee NC, Kekenes-Huskey PM, Davis JP, Johnson CN. Human disease-associated calmodulin mutations alter calcineurin function through multiple mechanisms. Cell Calcium. 113: 102752. PMID 37245392 DOI: 10.1016/j.ceca.2023.102752  0.321
2023 Chun BJ, Aryal SP, Varughese P, Sun B, Bruno JA, Richards CI, Bachstetter AD, Kekenes-Huskey PM. Purinoreceptors and ectonucleotidases control ATP-induced calcium waveforms and calcium-dependent responses in microglia: Roles of P2 receptors and CD39 in ATP-stimulated microglia. Frontiers in Physiology. 13: 1037417. PMID 36699679 DOI: 10.3389/fphys.2022.1037417  0.462
2023 Sun B, Kekenes-Huskey PM. Myofilament-associated proteins with intrinsic disorder (MAPIDs) and their resolution by computational modeling. Quarterly Reviews of Biophysics. 1-79. PMID 36628457 DOI: 10.1017/S003358352300001X  0.32
2022 Sun B, Kekenes-Huskey PM. Calmodulin's Interdomain Linker Is Optimized for Dynamics Signal Transmission and Calcium Binding. Journal of Chemical Information and Modeling. PMID 35994621 DOI: 10.1021/acs.jcim.2c00587  0.48
2022 Kekenes-Huskey PM, Burgess DE, Sun B, Bartos DC, Rozmus ER, Anderson CL, January CT, Eckhardt LL, Delisle BP. Mutation-Specific Differences in Kv7.1 () and Kv11.1 () Channel Dysfunction and Long QT Syndrome Phenotypes. International Journal of Molecular Sciences. 23. PMID 35806392 DOI: 10.3390/ijms23137389  0.318
2022 Cleary SR, Fang X, Cho EE, Pribadi MP, Seflova J, Beach JR, Kekenes-Huskey PM, Robia SL. Inhibitory and Stimulatory Micropeptides Preferentially Bind to Different Conformations of the Cardiac Calcium Pump. The Journal of Biological Chemistry. 102060. PMID 35605666 DOI: 10.1016/j.jbc.2022.102060  0.376
2021 Rahmaninejad H, Pace T, Chun BJ, Kekenes-Huskey P. Crowding within synaptic junctions influence the degradation of adenoside nucleotides by CD39 and CD73 ectonucleotidases. Biophysical Journal. PMID 34922916 DOI: 10.1016/j.bpj.2021.12.013  0.564
2021 Pace T, Rahmaninejad H, Sun B, Kekenes-Huskey PM. Homogenization of Continuum-Scale Transport Properties from Molecular Dynamics Simulations: An Application to Aqueous-Phase Methane Diffusion in Silicate Channels. The Journal of Physical Chemistry. B. 125: 11520-11533. PMID 34618464 DOI: 10.1021/acs.jpcb.1c07062  0.374
2021 Sun B, Fang X, Johnson CN, Hauck G, Kou Y, Davis JP, Kekenes-Huskey PM. Non-Canonical Interaction between Calmodulin and Calcineurin Contributes to the Differential Regulation of Plant-Derived Calmodulins on Calcineurin. Journal of Chemical Information and Modeling. PMID 34615359 DOI: 10.1021/acs.jcim.1c00873  0.48
2021 Marques MA, Landim-Vieira M, Moraes AH, Sun B, Johnston JR, Dieseldorff Jones KM, Cino EA, Parvatiyar MS, Valera IC, Silva JL, Galkin VE, Chase PB, Kekenes-Huskey PM, de Oliveira GAP, Pinto JR. Anomalous structural dynamics of minimally frustrated residues in cardiac troponin C triggers hypertrophic cardiomyopathy. Chemical Science. 12: 7308-7323. PMID 34163821 DOI: 10.1039/d1sc01886h  0.445
2021 Immadisetty K, Sun B, Kekenes-Huskey PM. Structural Changes beyond the EF-Hand Contribute to Apparent Calcium Binding Affinities: Insights from Parvalbumins. The Journal of Physical Chemistry. B. PMID 34115511 DOI: 10.1021/acs.jpcb.1c01269  0.467
2021 Sun B, Kekenes-Huskey PM. Assessing the Role of Calmodulin's Linker Flexibility in Target Binding. International Journal of Molecular Sciences. 22. PMID 34066691 DOI: 10.3390/ijms22094990  0.437
2020 Ono M, Burgess DE, Schroder EA, Elayi CS, Anderson CL, January CT, Sun B, Immadisetty K, Kekenes-Huskey PM, Delisle BP. Long QT Syndrome Type 2: Emerging Strategies for Correcting Class 2 () Mutations and Identifying New Patients. Biomolecules. 10. PMID 32759882 DOI: 10.3390/biom10081144  0.34
2020 Sun B, Kekenes-Huskey PM. Molecular Basis of S100A1 Activation and Target Regulation Within Physiological Cytosolic Ca Levels. Frontiers in Molecular Biosciences. 7: 77. PMID 32656226 DOI: 10.3389/Fmolb.2020.00077  0.561
2020 Rahmaninejad H, Pace T, Bhatt S, Sun B, Kekenes-Huskey P. Co-localization and confinement of ecto-nucleotidases modulate extracellular adenosine nucleotide distributions. Plos Computational Biology. 16: e1007903. PMID 32584811 DOI: 10.1371/Journal.Pcbi.1007903  0.465
2020 Chun B, Kekenes-Huskey PM, Richards C. Computational Modeling of LPS- and ATP-Mediated Cytokine Production in Macrophages Biophysical Journal. 118: 562a. DOI: 10.1016/J.Bpj.2019.11.3066  0.586
2019 Sun B, Vaughan DM, Tikunova SB, Creamer TP, Davis JP, Kekenes-Huskey PM. Calmodulin/Calcineurin Interaction Beyond the Calmodulin-binding Region Contributes to Calcineurin Activation. Biochemistry. PMID 31483613 DOI: 10.1021/Acs.Biochem.9B00626  0.498
2019 Sun B, Stewart BD, Kucharski AN, Kekenes-Huskey PM. Thermodynamics of cation binding to the sarco/endoplasmic reticulum calcium ATPase pump and impacts on enzyme function. Journal of Chemical Theory and Computation. PMID 30807147 DOI: 10.1021/Acs.Jctc.8B01312  0.551
2019 Kekenes-Huskey PM, Chun B, Vaughan D. Computational Modeling of Purinergic Receptor Activation in Microglia Biophysical Journal. 116: 236a. DOI: 10.1016/J.Bpj.2018.11.1295  0.594
2018 Chun B, Stewart BD, Vaughan DD, Bachstetter AD, Kekenes-Huskey PM. Simulation of P2X-mediated calcium signaling in microglia. The Journal of Physiology. PMID 30462840 DOI: 10.1113/Jp277377  0.629
2018 Sun B, Cook EC, Creamer TP, Kekenes-Huskey PM. Electrostatic control of calcineurin's intrinsically-disordered regulatory domain binding to calmodulin. Biochimica Et Biophysica Acta. PMID 30071273 DOI: 10.1016/J.Bbagen.2018.07.027  0.5
2018 Stewart BD, Scott CE, McCoy TP, Yin G, Despa F, Despa S, Kekenes-Huskey PM. Computational modeling of amylin-induced calcium dysregulation in rat ventricular cardiomyocytes. Cell Calcium. 71: 65-74. PMID 29604965 DOI: 10.1016/J.Ceca.2017.11.006  0.392
2017 Kekenes-Huskey PM, Sun B, Cook EC, Creamer TP. The Competition between Electrostatic-Steering and Conformational Dynamics in the Diffusion-Limited Association of Calcineurin and Calmodulin Biophysical Journal. 112: 51a. DOI: 10.1016/J.Bpj.2016.11.312  0.383
2016 Siddiqui JK, Tikunova SB, Walton SD, Liu B, Meyer M, de Tombe PP, Neilson N, Kekenes-Huskey PM, Salhi HE, Janssen PM, Biesiadecki BJ, Davis JP. Myofilament Calcium Sensitivity: Consequences of the Effective Concentration of Troponin I. Frontiers in Physiology. 7: 632. PMID 28066265 DOI: 10.3389/Fphys.2016.00632  0.365
2016 Kekenes-Huskey PM, Scott CE, Atalay S. Quantifying the Influence of the Crowded Cytoplasm on Small Molecule Diffusion. The Journal of Physical Chemistry. B. PMID 27327486 DOI: 10.1021/Acs.Jpcb.6B03887  0.333
2016 Kucharski AN, Scott CE, Davis JP, Kekenes-Huskey PM. Understanding Ion Binding Affnity and Selectivity in β Parvalbumin Using Molecular Dynamics and Mean Spherical Approximation Theory. The Journal of Physical Chemistry. B. PMID 27267153 DOI: 10.1021/Acs.Jpcb.6B02666  0.436
2016 Scott CE, Kekenes-Huskey PM. Molecular Basis of S100A1 Activation at Saturating and Subsaturating Calcium Concentrations. Biophysical Journal. 110: 1052-1063. PMID 26958883 DOI: 10.1016/J.Bpj.2015.12.040  0.466
2016 Scott C, Despa F, Despa S, Kekenes-Huskey PM. Computational Study of Human-Amylin Induced Calcium Dysregulation in Cardiac Myocytes Characteristic of Pre-Diabetes Biophysical Journal. 110: 122a-123a. DOI: 10.1016/J.Bpj.2015.11.709  0.42
2016 Atalay S, Scott CE, Kekenes-Huskey PM. Quantifying the Influence of the Crowded Cytoplasm on Ionic Diffusion Biophysical Journal. 110: 597a. DOI: 10.1016/J.Bpj.2015.11.3189  0.336
2016 Scott CE, Kucharski AN, Kekenes-Huskey PM. Molecular Dynamics Study of Divalent Ion Coordination in EF Hand Proteins Biophysical Journal. 110: 209a. DOI: 10.1016/J.Bpj.2015.11.1161  0.372
2015 Kekenes-Huskey PM, Eun C, McCammon JA. Enzyme localization, crowding, and buffers collectively modulate diffusion-influenced signal transduction: Insights from continuum diffusion modeling. The Journal of Chemical Physics. 143: 094103. PMID 26342355 DOI: 10.1063/1.4929528  0.465
2015 Kekenes-Huskey PM, Gillette AK, McCammon JA. Erratum: "Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation" [J. Chem. Phys. 140, 174106 (2014)]. The Journal of Chemical Physics. 142: 109902. PMID 25770569 DOI: 10.1063/1.4914327  0.435
2015 Lindert S, Cheng Y, Kekenes-Huskey P, Regnier M, McCammon JA. Effects of HCM cTnI mutation R145G on troponin structure and modulation by PKA phosphorylation elucidated by molecular dynamics simulations. Biophysical Journal. 108: 395-407. PMID 25606687 DOI: 10.1016/J.Bpj.2014.11.3461  0.644
2015 Kekenes-Huskey PM, Scott CE. Quantifying the Influence of the Crowded Cytoplasm on Small Biomolecule Diffusion via Homogenization Theory Biophysical Journal. 108: 56a. DOI: 10.1016/J.Bpj.2014.11.339  0.351
2015 Scott CE, Kekenes-Huskey PM. Understanding the Structural Changes of the Calcium Binding S100A1 Protein with Molecular Dynamics Simulations Biophysical Journal. 108: 214a. DOI: 10.1016/J.Bpj.2014.11.1184  0.381
2014 Wang N, Zhou S, Kekenes-Huskey PM, Li B, McCammon JA. Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers. The Journal of Physical Chemistry. B. 118: 14827-32. PMID 25426875 DOI: 10.1021/Jp511702W  0.412
2014 Metzger VT, Eun C, Kekenes-Huskey PM, Huber G, McCammon JA. Electrostatic channeling in P. falciparum DHFR-TS: Brownian dynamics and Smoluchowski modeling. Biophysical Journal. 107: 2394-402. PMID 25418308 DOI: 10.1016/J.Bpj.2014.09.039  0.455
2014 Cheng Y, Lindert S, Kekenes-Huskey P, Rao VS, Solaro RJ, Rosevear PR, Amaro R, McCulloch AD, McCammon JA, Regnier M. Computational studies of the effect of the S23D/S24D troponin I mutation on cardiac troponin structural dynamics. Biophysical Journal. 107: 1675-85. PMID 25296321 DOI: 10.1016/J.Bpj.2014.08.008  0.644
2014 Kekenes-Huskey PM, Gillette AK, McCammon JA. Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation. The Journal of Chemical Physics. 140: 174106. PMID 24811624 DOI: 10.1063/1.4873382  0.473
2014 Eun C, Kekenes-Huskey PM, Metzger VT, McCammon JA. A model study of sequential enzyme reactions and electrostatic channeling. The Journal of Chemical Physics. 140: 105101. PMID 24628210 DOI: 10.1063/1.4867286  0.428
2014 Hake J, Kekenes-Huskey PM, McCulloch AD. Computational modeling of subcellular transport and signaling. Current Opinion in Structural Biology. 25: 92-7. PMID 24509246 DOI: 10.1016/J.Sbi.2014.01.006  0.316
2014 Kekenes-Huskey PM, Edwards A, Hake J, Michailova A, McCammon JA, McCulloch A. A Markov-State Model for the Regulation of the Sarcoplasmic Reticulum Ca2+ ATPase by Phospholamban Biophysical Journal. 106: 116a. DOI: 10.1016/J.Bpj.2013.11.702  0.45
2014 Eun C, Kekenes-Huskey PM, Metzger VT, McCammon JA. Kinetics of Sequential Enzyme Reactions and Electrostatic Channeling Biophysical Journal. 106: 678a. DOI: 10.1016/J.Bpj.2013.11.3754  0.417
2014 Cheng Y, Lindert S, Kekenes-Huskey P, Rao VS, Rosevear PR, McCammon JA, McCulloch A, Regnier M. Exploring How Phosphorylation Influences C-I Interaction and Calcium Sensitivity of Troponin by Molecular Dynamics Simulations Biophysical Journal. 106: 660a. DOI: 10.1016/J.Bpj.2013.11.3654  0.517
2014 Wang N, Kekenes-Huskey P, Zhou S, Li B, McCammon JA. Size-Modified Poisson-Boltzmann Electrostatics for Realistic Biomolecular Systems Biophysical Journal. 106: 408a. DOI: 10.1016/J.Bpj.2013.11.2298  0.497
2013 Liao T, Zhang Y, Kekenes-Huskey PM, Cheng Y, Michailova A, McCulloch AD, Holst M, McCammon JA. Multi-core CPU or GPU-accelerated Multiscale Modeling for Biomolecular Complexes. Molecular Based Mathematical Biology (Online). 1. PMID 24352481 DOI: 10.2478/Mlbmb-2013-0009  0.587
2013 Kekenes-Huskey PM, Liao T, Gillette AK, Hake JE, Zhang Y, Michailova AP, McCulloch AD, McCammon JA. Molecular and subcellular-scale modeling of nucleotide diffusion in the cardiac myofilament lattice. Biophysical Journal. 105: 2130-40. PMID 24209858 DOI: 10.1016/J.Bpj.2013.09.020  0.481
2013 Eun C, Kekenes-Huskey PM, McCammon JA. Influence of neighboring reactive particles on diffusion-limited reactions. The Journal of Chemical Physics. 139: 044117. PMID 23901970 DOI: 10.1063/1.4816522  0.441
2013 Kekenes-Huskey PM, Hake J, Edwards AG, Cheng Y, Holst M, Sachse F, Bridge J, Mcculloch A, McCammon JA, Michailova A. Modeling Calcium Dynamics in Rabbit Ventricular Myocytes with Several Realistic T-Tubules Subject to Detubulation Biophysical Journal. 104: 107a. DOI: 10.1016/J.Bpj.2012.11.625  0.664
2013 Rao VS, Lindert S, Wang DD, Kekenes-Huskey P, Cheng Y, McCammon JA, McCulloch A, Arzberger P, Regnier M. Mechanisms of Altered Cardiac Myofibril Relaxation Caused by the Cardiac Troponin-I R145G Mutation Biophysical Journal. 104: 311a. DOI: 10.1016/J.Bpj.2012.11.1728  0.635
2012 Kekenes-Huskey PM, Gillette A, Hake J, McCammon JA. Finite Element Estimation of Protein-Ligand Association Rates with Post-Encounter Effects: Applications to Calcium binding in Troponin C and SERCA. Computational Science & Discovery. 5. PMID 23293662 DOI: 10.1088/1749-4699/5/1/014015  0.553
2012 Kekenes-Huskey PM, Lindert S, McCammon JA. Molecular basis of calcium-sensitizing and desensitizing mutations of the human cardiac troponin C regulatory domain: a multi-scale simulation study. Plos Computational Biology. 8: e1002777. PMID 23209387 DOI: 10.1371/Journal.Pcbi.1002777  0.575
2012 Lindert S, Kekenes-Huskey PM, McCammon JA. Long-timescale molecular dynamics simulations elucidate the dynamics and kinetics of exposure of the hydrophobic patch in troponin C. Biophysical Journal. 103: 1784-9. PMID 23083722 DOI: 10.1016/J.Bpj.2012.08.058  0.567
2012 Kekenes-Huskey PM, Cheng Y, Hake JE, Sachse FB, Bridge JH, Holst MJ, McCammon JA, McCulloch AD, Michailova AP. Modeling effects of L-type ca(2+) current and na(+)-ca(2+) exchanger on ca(2+) trigger flux in rabbit myocytes with realistic T-tubule geometries. Frontiers in Physiology. 3: 351. PMID 23060801 DOI: 10.3389/Fphys.2012.00351  0.659
2012 Kekenes-Huskey PM, Metzger VT, Grant BJ, Andrew McCammon J. Calcium binding and allosteric signaling mechanisms for the sarcoplasmic reticulum Ca²+ ATPase. Protein Science : a Publication of the Protein Society. 21: 1429-43. PMID 22821874 DOI: 10.1002/Pro.2129  0.477
2012 Hake J, Edwards AG, Yu Z, Kekenes-Huskey PM, Michailova AP, McCammon JA, Holst MJ, Hoshijima M, McCulloch AD. Modelling cardiac calcium sparks in a three-dimensional reconstruction of a calcium release unit. The Journal of Physiology. 590: 4403-22. PMID 22495592 DOI: 10.1113/Jphysiol.2012.227926  0.496
2012 Lindert S, Kekenes-Huskey PM, Huber G, Pierce L, McCammon JA. Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational study. The Journal of Physical Chemistry. B. 116: 8449-59. PMID 22329450 DOI: 10.1021/Jp212173F  0.57
2012 Cheng Y, Kekenes-Huskey P, Hake E, Holst J, McCammon A, Michailova P, Hake JE, Holst MJ, McCammon JA, Michailova AP. Multi-scale continuum modeling of biological processes: From molecular electro-diffusion to sub-cellular signaling transduction Computational Science and Discovery. 5. DOI: 10.1088/1749-4699/5/1/015002  0.678
2012 Kekenes-Huskey PM, Hake J, Cheng Y, Holst M, Sachse FB, Bridge JH, McCulloch A, McCammon JA, Michailova A. Modeling Calcium Dynamics in Realistic Rabbit Ventricular Myocytes with Several Transverse Tubules Biophysical Journal. 102: 102a. DOI: 10.1016/J.Bpj.2011.11.577  0.561
2012 Cheng Y, Kekenes-Huskey P, Holst M, McCammon JA, Michailova A. How Spatiotemporal Clustering of L-Type Ca2+ Channels Regulates Ca2+ Signals in Rat Ventricular Myocytes? Biophysical Journal. 102: 551a. DOI: 10.1016/J.Bpj.2011.11.3008  0.661
2012 Lindert S, Kekenes-Huskey P, McCammon JA. Molecular Dynamics and Calcium Binding Studies on Troponin C Biophysical Journal. 102: 39a. DOI: 10.1016/J.Bpj.2011.11.244  0.495
2012 Hake JE, Edwards AG, Yu Z, Kekenes-Huskey P, Michailova AP, McCammon AJ, Holst MJ, Hoshijima M, McCulloch AD. Modeling Calcium Sparks in a Three-Dimensional Reconstruction of a Cardiac Calcium Release Unit Biophysical Journal. 102: 309a. DOI: 10.1016/J.Bpj.2011.11.1704  0.445
2011 Kekenes-Huskey PM, Cheng Y, Hake J, Sachse F, Bridge J, McCammon J, Michailova A. Contributions of Structural t-Tubule Heterogeneities and Membrane Ca2+ Flux Localization to Local Ca2+ Signaling in Rabbit Ventricular Myocytes Biophysical Journal. 100: 557a. DOI: 10.1016/J.Bpj.2010.12.3240  0.662
2007 Heo J, Han SK, Vaidehi N, Wendel J, Kekenes-Huskey P, Goddard WA. Prediction of the 3D structure of FMRF-amide neuropeptides bound to the mouse MrgC11 GPCR and experimental validation Chembiochem. 8: 1527-1539. PMID 17647204 DOI: 10.1002/Cbic.200700188  0.348
2005 Cho AE, Wendel JA, Vaidehi N, Kekenes-Huskey PM, Floriano WB, Maiti PK, Goddard WA. The MPSim-Dock hierarchical docking algorithm: application to the eight trypsin inhibitor cocrystals. Journal of Computational Chemistry. 26: 48-71. PMID 15529328 DOI: 10.1002/Jcc.20118  0.41
2003 Kekenes-Huskey PM, Vaidehi N, Floriano WB, Goddard WA. Fidelity of phenylalanyl-tRNA synthetase in binding the natural amino acids Journal of Physical Chemistry B. 107: 11549-11557. DOI: 10.1021/Jp034607O  0.415
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