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Himanshu Khandelia, Ph.D. - Publications

Affiliations: 
2006 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Chemical Engineering, General Biophysics
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73 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
2024 Bisht K, Lomholt MA, Khandelia H. Sensing membrane voltage by reorientation of dipolar transmembrane peptides. Biophysical Journal. PMID 38308436 DOI: 10.1016/j.bpj.2024.01.037  0.421
2023 Zohairi F, Khandelia H, Hakami Zanjani AA. Interaction of psychedelic tryptamine derivatives with a lipid bilayer. Chemistry and Physics of Lipids. 251: 105279. PMID 36627076 DOI: 10.1016/j.chemphyslip.2023.105279  0.311
2021 Yesylevskyy S, Khandelia H. EnCurv: Simple Technique of Maintaining Global Membrane Curvature in Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 17: 1181-1193. PMID 33513017 DOI: 10.1021/acs.jctc.0c00800  0.337
2020 Florentsen CD, Kamp-Sonne A, Moreno-Pescador G, Pezeshkian W, Hakami Zanjani AA, Khandelia H, Nylandsted J, Bendix PM. Annexin A4 trimers are recruited by high membrane curvatures in giant plasma membrane vesicles. Soft Matter. PMID 32756654 DOI: 10.1039/D0Sm00241K  0.404
2020 Hedegaard SF, Bruhn DS, Khandelia H, Cárdenas M, Nielsen HM. Shuffled lipidation pattern and degree of lipidation determines the membrane interaction behavior of a linear cationic membrane-active peptide. Journal of Colloid and Interface Science. 578: 584-597. PMID 32544630 DOI: 10.1016/J.Jcis.2020.05.121  0.498
2020 Bendix PM, Simonsen AC, Florentsen CD, Häger SC, Mularski A, Zanjani AAH, Moreno-Pescador G, Klenow MB, Sønder SL, Danielsen HM, Arastoo MR, Heitmann AS, Pandey MP, Lund FW, Dias C, ... Khandelia H, et al. Interdisciplinary Synergy to Reveal Mechanisms of Annexin-Mediated Plasma Membrane Shaping and Repair. Cells. 9. PMID 32326222 DOI: 10.3390/Cells9041029  0.37
2020 Bozorg B, Lomholt MA, Khandelia H. A Thermodynamic Investigation of the Mechanism of Heat Production During Membrane Depolarization. The Journal of Physical Chemistry. B. PMID 32180409 DOI: 10.1021/Acs.Jpcb.9B11456  0.382
2019 Sasidharan S, Pochinda S, Elgaard-Jørgensen PN, Rajamani S, Khandelia H, Raghunathan VA. Interaction of the mononucleotide UMP with a fluid phospholipid bilayer. Soft Matter. PMID 31589218 DOI: 10.1039/C9Sm01257E  0.451
2019 Garcia A, Pochinda S, Elgaard-Jørgensen PN, Khandelia H, Clarke RJ. Evidence for ATP interaction with phosphatidylcholine bilayers. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31291108 DOI: 10.1021/Acs.Langmuir.9B01240  0.352
2019 Dubey V, Bozorg B, Wüstner D, Khandelia H. Mechanism of Cholesterol Sensing in the Niemann Pick Protein (NPC1) using Molecular Dynamics Simulations Biophysical Journal. 116: 300a. DOI: 10.1016/J.Bpj.2018.11.1626  0.353
2018 Siani P, Khandelia H, Orsi M, Dias LG. Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics. Journal of Computer-Aided Molecular Design. 32: 1259-1271. PMID 30259387 DOI: 10.1007/S10822-018-0164-4  0.405
2018 Dubey V, Han M, Kopec W, Solov'yov IA, Abe K, Khandelia H. K binding and proton redistribution in the EP state of the H, K-ATPase. Scientific Reports. 8: 12732. PMID 30143663 DOI: 10.1038/S41598-018-30885-W  0.304
2018 Courtney KC, Pezeshkian W, Raghupathy R, Zhang C, Darbyson A, Ipsen JH, Ford DA, Khandelia H, Presley JF, Zha X. C24 Sphingolipids Govern the Transbilayer Asymmetry of Cholesterol and Lateral Organization of Model and Live-Cell Plasma Membranes. Cell Reports. 24: 1037-1049. PMID 30044971 DOI: 10.1016/J.Celrep.2018.06.104  0.336
2018 Wewer CR, Khandelia H. Different footprints of the Zika and dengue surface proteins on viral membranes. Soft Matter. PMID 29932192 DOI: 10.1039/C8Sm00223A  0.371
2018 Olesen K, Awasthi N, Bruhn DS, Pezeshkian W, Khandelia H. Faster simulations with a 5 fs timestep for lipids in the CHARMM forcefield. Journal of Chemical Theory and Computation. PMID 29750867 DOI: 10.1021/Acs.Jctc.8B00267  0.373
2018 Nguyen K, Garcia A, Sani MA, Diaz D, Dubey V, Clayton D, Poggetto GD, Cornelius F, Payne RJ, Separovic F, Khandelia H, Clarke RJ. Interaction of N-terminal peptide analogues of the Na,K-ATPase with membranes. Biochimica Et Biophysica Acta. PMID 29522705 DOI: 10.1016/J.Bbamem.2018.03.002  0.444
2018 Bruhn D, Pezeshkian W, Khandelia H. Measurements and Implications of How Electrical Potentials Can Bend Membranes Biophysical Journal. 114: 94a. DOI: 10.1016/J.Bpj.2017.11.557  0.317
2017 Nåbo LJ, Modzel M, Krishnan K, Covey DF, Fujiwara H, Ory DS, Szomek M, Khandelia H, Wüstner D, Kongsted J. Structural design of intrinsically fluorescent oxysterols. Chemistry and Physics of Lipids. PMID 29287905 DOI: 10.1016/J.Chemphyslip.2017.12.005  0.356
2017 Pezeshkian W, Chevrot G, Khandelia H. The role of Caveolin-1 in Lipid Droplets and their Biogenesis. Chemistry and Physics of Lipids. PMID 29162371 DOI: 10.1016/J.Chemphyslip.2017.11.010  0.425
2017 Ali Doosti B, Pezeshkian W, Bruhn DS, Ipsen JH, Khandelia H, Jeffries GDM, Lobovkina T. Membrane tubulation in lipid vesicles triggered by the local application of calcium ions. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28910109 DOI: 10.1021/Acs.Langmuir.7B01461  0.392
2017 Jiang Q, Garcia A, Han M, Cornelius F, Apell HJ, Khandelia H, Clarke RJ. Electrostatic Stabilization Plays a Central Role in Autoinhibitory Regulation of the Na(+),K(+)-ATPase. Biophysical Journal. 112: 288-299. PMID 28122215 DOI: 10.1016/J.Bpj.2016.12.008  0.318
2017 Han M, Kopec W, Solov'yov IA, Khandelia H. Glutamate Water Gates in the Ion Binding Pocket of Na(+) Bound Na(+), K(+)-ATPase. Scientific Reports. 7: 39829. PMID 28084301 DOI: 10.1038/Srep39829  0.316
2016 Bruhn DS, Lomholt MA, Khandelia H. Quantifying the Relationship Between Curvature and Electric Potential in Lipid Bilayers. The Journal of Physical Chemistry. B. PMID 27163659 DOI: 10.1021/Acs.Jpcb.6B03439  0.428
2016 Pezeshkian W, Hansen AG, Johannes L, Khandelia H, Shillcock JC, Kumar PB, Ipsen JH. Membrane invagination induced by Shiga toxin B-subunit: from molecular structure to tube formation. Soft Matter. PMID 27070906 DOI: 10.1039/C6Sm00464D  0.428
2016 Siani P, de Souza RM, Dias LG, Itri R, Khandelia H. An overview of molecular dynamics simulations of oxidized lipid systems, with a comparison of ELBA and MARTINI force fields for coarse grained lipid simulations. Biochimica Et Biophysica Acta. 1858: 2498-511. PMID 27058982 DOI: 10.1016/J.Bbamem.2016.03.031  0.399
2016 da Fonseca CO, Khandelia H, Salazar MD, Schönthal AH, Meireles OC, Quirico-Santos T. Perillyl alcohol: Dynamic interactions with the lipid bilayer and implications for long-term inhalational chemotherapy for gliomas. Surgical Neurology International. 7: 1. PMID 26862440 DOI: 10.4103/2152-7806.173301  0.399
2016 Sahoo SK, Shaikh SA, Sopariwala DH, Bal NC, Bruhn DS, Kopec W, Khandelia H, Periasamy M. The N-Termini of Sarcolipin and Phospholamban Play an Important Role in Distinct Regulation of Sarco-Endoplasmic Reticulum Ca2+ ATPase (SERCA) Function Biophysical Journal. 110: 367a-368a. DOI: 10.1016/J.Bpj.2015.11.1980  0.32
2015 Garcia A, Eljack ND, Sani MA, Separovic F, Rasmussen HH, Kopec W, Khandelia H, Cornelius F, Clarke RJ. Membrane accessibility of glutathione. Biochimica Et Biophysica Acta. 1848: 2430-6. PMID 26232559 DOI: 10.1016/J.Bbamem.2015.07.016  0.397
2015 Nåbo LJ, List NH, Witzke S, Wüstner D, Khandelia H, Kongsted J. Design of new fluorescent cholesterol and ergosterol analogs: Insights from theory. Biochimica Et Biophysica Acta. 1848: 2188-99. PMID 25963993 DOI: 10.1016/J.Bbamem.2015.04.018  0.391
2015 Sahoo SK, Shaikh SA, Sopariwala DH, Bal NC, Bruhn DS, Kopec W, Khandelia H, Periasamy M. The N Terminus of Sarcolipin Plays an Important Role in Uncoupling Sarco-endoplasmic Reticulum Ca2+-ATPase (SERCA) ATP Hydrolysis from Ca2+ Transport. The Journal of Biological Chemistry. 290: 14057-67. PMID 25882845 DOI: 10.1074/Jbc.M115.636738  0.315
2015 Pezeshkian W, Chaban VV, Johannes L, Shillcock J, Ipsen JH, Khandelia H. The effects of globotriaosylceramide tail saturation level on bilayer phases. Soft Matter. 11: 1352-61. PMID 25575293 DOI: 10.1039/C4Sm02456G  0.397
2015 Mahmmoud YA, Kopec W, Khandelia H. K+ congeners that do not compromise Na+ activation of the Na+,K+-ATPase: hydration of the ion binding cavity likely controls ion selectivity. The Journal of Biological Chemistry. 290: 3720-31. PMID 25533461 DOI: 10.1074/Jbc.M114.577486  0.31
2014 Loubet B, Kopec W, Khandelia H. Accelerating All-Atom MD Simulations of Lipids Using a Modified Virtual-Sites Technique. Journal of Chemical Theory and Computation. 10: 5690-5. PMID 26583251 DOI: 10.1021/Ct500100F  0.372
2014 Chaban VV, Khandelia H. Distribution of neutral lipids in the lipid droplet core. The Journal of Physical Chemistry. B. 118: 11145-51. PMID 25188363 DOI: 10.1021/Jp506693D  0.396
2014 Chaban VV, Khandelia H. Lipid structure in triolein lipid droplets. The Journal of Physical Chemistry. B. 118: 10335-40. PMID 25133683 DOI: 10.1021/Jp503223Z  0.427
2014 Khandelia H, Loubet B, Olzyńska A, Jurkiewicz P, Hof M. Pairing of cholesterol with oxidized phospholipid species in lipid bilayers. Soft Matter. 10: 639-47. PMID 24795978 DOI: 10.1039/C3Sm52310A  0.351
2014 Chaban VV, Nielsen MB, Kopec W, Khandelia H. Insights into the role of cyclic ladderane lipids in bacteria from computer simulations. Chemistry and Physics of Lipids. 181: 76-82. PMID 24732581 DOI: 10.1016/J.Chemphyslip.2014.04.002  0.464
2014 Kopec W, Khandelia H. Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations. Journal of Computer-Aided Molecular Design. 28: 123-34. PMID 24577873 DOI: 10.1007/S10822-014-9737-Z  0.409
2014 Kopec W, Loubet B, Poulsen H, Khandelia H. Molecular mechanism of Na(+),K(+)-ATPase malfunction in mutations characteristic of adrenal hypertension. Biochemistry. 53: 746-54. PMID 24428543 DOI: 10.1021/Bi401425G  0.306
2014 Loubet B, Jurkiewicz P, Olzynska A, Hof M, Khandelia H. Shape Pairing of Cholesterol with Oxidized Phospholipid Species in Lipid Bilayers Biophysical Journal. 106. DOI: 10.1016/J.Bpj.2013.11.515  0.339
2014 Kopec W, Loubet B, Khandelia H. Glutathionylation of the Na K Pump Biophysical Journal. 106: 583a. DOI: 10.1016/J.Bpj.2013.11.3230  0.372
2014 Loubet B, Kopec W, Khandelia H. Application of the Virtual Site Technique to Lipids in Gromacs, Hydrogens Degrees of Freedom Removal and Performance Increase Biophysical Journal. 106: 17a. DOI: 10.1016/J.Bpj.2013.11.146  0.336
2013 Chaban VV, Verspeek B, Khandelia H. Novel Ultrathin Membranes Composed of Organic Ions. The Journal of Physical Chemistry Letters. 4: 1216-20. PMID 26282045 DOI: 10.1021/Jz400424F  0.365
2013 Loubet B, Lomholt MA, Khandelia H. Tension moderation and fluctuation spectrum in simulated lipid membranes under an applied electric potential. The Journal of Chemical Physics. 139: 164902. PMID 24182074 DOI: 10.1063/1.4826462  0.376
2013 Hansen AH, Sørensen KT, Mathieu R, Serer A, Duelund L, Khandelia H, Hansen PL, Simonsen AC. Propofol modulates the lipid phase transition and localizes near the headgroup of membranes. Chemistry and Physics of Lipids. 175: 84-91. PMID 23994552 DOI: 10.1016/J.Chemphyslip.2013.08.002  0.447
2013 Kopeć W, Telenius J, Khandelia H. Molecular dynamics simulations of the interactions of medicinal plant extracts and drugs with lipid bilayer membranes. The Febs Journal. 280: 2785-805. PMID 23590201 DOI: 10.1111/Febs.12286  0.43
2013 Hermetter A, Kopec W, Khandelia H. Conformations of double-headed, triple-tailed phospholipid oxidation lipid products in model membranes. Biochimica Et Biophysica Acta. 1828: 1700-6. PMID 23567918 DOI: 10.1016/J.Bbamem.2013.03.030  0.413
2013 Conte E, Megli FM, Khandelia H, Jeschke G, Bordignon E. Lipid peroxidation and water penetration in lipid bilayers: a W-band EPR study. Biochimica Et Biophysica Acta. 1828: 510-7. PMID 23036933 DOI: 10.1016/J.Bbamem.2012.09.026  0.402
2013 Loubet B, Lomholt MA, Khandelia H. Fluctuation Spectrum and Electrical Stresses in Biomembranes Probed by Molecular Dynamics Simulations Biophysical Journal. 104: 662a. DOI: 10.1016/J.Bpj.2012.11.3656  0.348
2012 Mouritsen OG, Khandelia H. Molecular mechanism of the allosteric enhancement of the umami taste sensation. The Febs Journal. 279: 3112-20. PMID 22764741 DOI: 10.1111/J.1742-4658.2012.08690.X  0.308
2012 Poulsen H, Nissen P, Mouritsen OG, Khandelia H. Protein kinase A (PKA) phosphorylation of Na+/K+-ATPase opens intracellular C-terminal water pathway leading to third Na+-binding site in molecular dynamics simulations. The Journal of Biological Chemistry. 287: 15959-65. PMID 22433860 DOI: 10.1074/Jbc.M112.340406  0.346
2010 Khandelia H, Witzke S, Mouritsen OG. Interaction of salicylate and a terpenoid plant extract with model membranes: reconciling experiments and simulations. Biophysical Journal. 99: 3887-94. PMID 21156130 DOI: 10.1016/J.Bpj.2010.11.009  0.469
2010 Witzke S, Duelund L, Kongsted J, Petersen M, Mouritsen OG, Khandelia H. Inclusion of terpenoid plant extracts in lipid bilayers investigated by molecular dynamics simulations. The Journal of Physical Chemistry. B. 114: 15825-31. PMID 21070035 DOI: 10.1021/Jp108675B  0.506
2010 Khandelia H, Duelund L, Pakkanen KI, Ipsen JH. Triglyceride blisters in lipid bilayers: implications for lipid droplet biogenesis and the mobile lipid signal in cancer cell membranes. Plos One. 5: e12811. PMID 20877640 DOI: 10.1371/Journal.Pone.0012811  0.427
2010 Khandelia H, Mouritsen OG. Self-Assembly Simulations of Membranes Containing Phospholipid Oxidation Products Biophysical Journal. 98: 489a. DOI: 10.1016/J.Bpj.2009.12.2663  0.503
2010 Khandelia H, Kaznessis YN. Corrigendum to “Structure of the antimicrobial β-hairpin peptide protegrin-1 in a DLPC lipid bilayer investigated by molecular dynamics simulation” [Biochim. Biophys. Acta 1768 (2007) 509–520] Biochimica Et Biophysica Acta (Bba) - Biomembranes. 1798: 1623. DOI: 10.1016/J.Bbamem.2010.02.005  0.705
2009 Sayyed-Ahmad A, Khandelia H, Kaznessis YN. Relative free energy of binding between antimicrobial peptides and SDS or DPC micelles. Molecular Simulation. 35: 986-997. PMID 21113423 DOI: 10.1080/08927020902902742  0.739
2009 Khandelia H, Mouritsen OG. Lipid gymnastics: evidence of complete acyl chain reversal in oxidized phospholipids from molecular simulations. Biophysical Journal. 96: 2734-43. PMID 19348756 DOI: 10.1016/J.Bpj.2009.01.007  0.428
2009 Khandelia H, Jensen MØ, Mouritsen OG. To gate or not to gate: using molecular dynamics simulations to morph gated plant aquaporins into constitutively open conformations. The Journal of Physical Chemistry. B. 113: 5239-44. PMID 19320451 DOI: 10.1021/Jp809152C  0.346
2009 Khandelia H, Mouritsen OG. Lipid Gymnastics: Complete Acyl Chain Reversal in Oxidized Phospholipids: Evidence from Molecular Simulations Biophysical Journal. 96: 459a. DOI: 10.1016/J.Bpj.2008.12.2363  0.413
2009 Khandelia H, Poulsen H, Morth JP, Nissen P, Mouritsen O. Molecular Insights Into The Modulation Of Sodium Binding Affinity And Voltage Sensitivity Of The Sodium-Potassium Pump From Molecular Dynamics Simulations, Electrophysiology And Structure Biophysical Journal. 96: 210a. DOI: 10.1016/J.Bpj.2008.12.1864  0.35
2008 Parry MJ, Alakoskela JM, Khandelia H, Kumar SA, Jäättelä M, Mahalka AK, Kinnunen PK. High-affinity small molecule-phospholipid complex formation: binding of siramesine to phosphatidic acid. Journal of the American Chemical Society. 130: 12953-60. PMID 18767848 DOI: 10.1021/Ja800516W  0.36
2008 Langham AA, Khandelia H, Schuster B, Waring AJ, Lehrer RI, Kaznessis YN. Correlation between simulated physicochemical properties and hemolycity of protegrin-like antimicrobial peptides: predicting experimental toxicity. Peptides. 29: 1085-93. PMID 18455267 DOI: 10.1016/J.Peptides.2008.03.018  0.775
2008 Khandelia H, Ipsen JH, Mouritsen OG. The impact of peptides on lipid membranes. Biochimica Et Biophysica Acta. 1778: 1528-36. PMID 18358231 DOI: 10.1016/J.Bbamem.2008.02.009  0.613
2007 Khandelia H, Kaznessis YN. Structure of the antimicrobial beta-hairpin peptide protegrin-1 in a DLPC lipid bilayer investigated by molecular dynamics simulation. Biochimica Et Biophysica Acta. 1768: 509-20. PMID 17254546 DOI: 10.1016/J.Bbamem.2006.11.015  0.763
2007 Khandelia H, Kaznessis YN. Cation-pi interactions stabilize the structure of the antimicrobial peptide indolicidin near membranes: molecular dynamics simulations. The Journal of Physical Chemistry. B. 111: 242-50. PMID 17201448 DOI: 10.1021/Jp064776J  0.753
2006 Khandelia H, Langham AA, Kaznessis YN. Driving engineering of novel antimicrobial peptides from simulations of peptide-micelle interactions. Biochimica Et Biophysica Acta. 1758: 1224-34. PMID 16753133 DOI: 10.1016/J.Bbamem.2006.03.010  0.79
2006 Khandelia H, Kaznessis YN. Molecular dynamics investigation of the influence of anionic and zwitterionic interfaces on antimicrobial peptides' structure: implications for peptide toxicity and activity. Peptides. 27: 1192-200. PMID 16325306 DOI: 10.1016/J.Peptides.2005.10.022  0.746
2006 Langham AA, Khandelia H, Kaznessis YN. How can a beta-sheet peptide be both a potent antimicrobial and harmfully toxic? Molecular dynamics simulations of protegrin-1 in micelles. Biopolymers. 84: 219-31. PMID 16235232 DOI: 10.1002/Bip.20397  0.789
2005 Khandelia H, Kaznessis YN. Molecular dynamics simulations of the helical antimicrobial peptide ovispirin-1 in a zwitterionic dodecylphosphocholine micelle: insights into host-cell toxicity. The Journal of Physical Chemistry. B. 109: 12990-6. PMID 16852612 DOI: 10.1021/Jp050162N  0.765
2005 Khandelia H, Kaznessis YN. Molecular dynamics simulations of helical antimicrobial peptides in SDS micelles: what do point mutations achieve? Peptides. 26: 2037-49. PMID 15979758 DOI: 10.1016/J.Peptides.2005.03.058  0.766
2005 Khandelia H, Kaznessis Y. Influence of anionic and zwitterionic membrane interfaces on structure of antimicrobial peptides and implications on peptide toxicity and activity: A molecular dynamics simulation investigation Aiche Annual Meeting, Conference Proceedings. 10462.  0.734
2005 Khandelia H. Molecular dynamics investigation into the influence of anionic and zwitterionic membrane interfaces on structure of antimicrobial peptides, and implications on antimicrobial properties Aiche Annual Meeting, Conference Proceedings. 3223.  0.54
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