Works matching AU Tieleman, D. Peter

Results: 40

Antimicrobial peptide class that forms discrete β-barrel stable pores anchored by transmembrane helices.

Published in:

Nature Communications, 2025, v. 16, n. 1, p. 1, doi. 10.1038/s41467-025-62604-1

By:

Dickey, Seth W.;
Burgin, Dylan J.;
Antwi, Ama N.;
Villaruz, Amer;
Galac, Madeline R.;
Cheung, Gordon Y. C.;
Rostovtseva, Tatiana K.;
Worrall, Liam J.;
Lazarski, Aleksander C.;
Cino, Elio A.;
Tieleman, D. Peter;
Bezrukov, Sergey M.;
Strynadka, Natalie C. J.;
Otto, Michael

Publication type:

Article

Functional Divergence in Teleost Cardiac Troponin Paralogs Guides Variation in the Interaction of TnI Switch Region with TnC.

Published in:

Genome Biology & Evolution, 2016, v. 8, n. 4, p. 994, doi. 10.1093/gbe/evw044

By:

Genge, Christine E.;
Stevens, Charles M.;
Davidson, William S.;
Singh, Gurpreet;
Tieleman, D. Peter;
Tibbits, Glen F.

Publication type:

Article

Conformational flexibility of PL12 family heparinases: structure and substrate specificity of heparinase III from Bacteroides thetaiotaomicron (BT4657).

Published in:

Glycobiology, 2017, v. 27, n. 2, p. 176, doi. 10.1093/glycob/cww096

By:

Ulaganathan, ThirumalaiSelvi;
Rong Shi;
Deqiang Yao;
Ruo-Xu Gu;
Garron, Marie-Line;
Cherney, Maia;
Tieleman, D. Peter;
Sterner, Eric;
Guoyun Li;
Lingyun Li;
Linhardt, Robert J.;
Cygler, Miroslaw

Publication type:

Article

Mechanistic insights into robust cardiac I<sub>ks</sub> potassium channel activation by aromatic polyunsaturated fatty acid analogues.

Published in:

eLife, 2023, p. 1, doi. 10.7554/eLife.85773

By:

Bohannon, Briana M.;
Jowais, Jessica J.;
Nyberg, Leif;
Olivier-Meo, Vanessa;
Corradi, Valentina;
Tieleman, D. Peter;
Liin, Sara I.;
Larsson, H. Peter

Publication type:

Article

Constant pH simulations with the coarse-grained MARTINI model - Application to oleic acid aggregates.

Published in:

Canadian Journal of Chemistry, 2013, v. 91, n. 9, p. 839, doi. 10.1139/cjc-2013-0010

By:

Bennett, W.F. Drew;
Chen, Alexander W.;
Donnini, Serena;
Groenhof, Gerrit;
Tieleman, D. Peter

Publication type:

Article

The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter.

Published in:

FASEB Journal, 2009, v. 23, n. 5, p. 1287, doi. 10.1096/fj.08-121855

By:

Procko, Erik;
O'Mara, Megan L.;
Drew Bennett, W. F.;
Tieleman, D. Peter;
Gaudet, Rachelle

Publication type:

Article

Structure and Stability of Carbohydrate-Lipid Interactions. Methylmannose Polysaccharide-Fatty Acid Complexes.

Published in:

ChemBioChem, 2016, v. 17, n. 16, p. 1571, doi. 10.1002/cbic.201600123

By:

Liu, Lan;
Siuda, Iwona;
Richards, Michele R.;
Renaud, Justin;
Kitova, Elena N.;
Mayer, Paul M.;
Tieleman, D. Peter;
Lowary, Todd L.;
Klassen, John S.

Publication type:

Article

Biophysical experiments and simulation in nanoparticle-based drug delivery systems.

Published in:

Journal of Drug Targeting, 2016, v. 24, n. 9, p. 768, doi. 10.1080/1061186X.2016.1221957

By:

Thewalt, Jenifer;
Tieleman, D. Peter

Publication type:

Article

ProLint: a web-based framework for the automated data analysis and visualization of lipid–protein interactions.

Published in:

Nucleic Acids Research, 2021, v. 49, n. W1, p. W544, doi. 10.1093/nar/gkab409

By:

Sejdiu, Besian I.;
Tieleman, D. Peter

Publication type:

Article

Computer simulations of ABC transporter components.

Published in:

Biochemistry & Cell Biology, 2006, v. 84, n. 6, p. 900, doi. 10.1139/O06-182

By:

Oloo, Eliud O.;
Kandt, Christian;
O'Mara, Megan L.;
Tieleman, D. Peter

Publication type:

Article

Molecular basis of voltage gating of OmpF porin.

Published in:

Biochemistry & Cell Biology, 2002, v. 80, n. 5, p. 517, doi. 10.1139/o02-145

By:

Robertson, Kindal M;
Tieleman, D Peter

Publication type:

Article

Computer simulation study of fullerene translocation through lipid membranes.

Published in:

Nature Nanotechnology, 2008, v. 3, n. 6, p. 363, doi. 10.1038/nnano.2008.130

By:

Wong-Ekkabut, Jirasak;
Baoukina, Svetlana;
Triampo, Wannapong;
Tang, I-Ming;
Tieleman, D. Peter;
Monticelli, Luca

Publication type:

Article

Disrupting a key hydrophobic pair in the oligomerization interface of the actinoporins impairs their pore-forming activity.

Published in:

Protein Science: A Publication of the Protein Society, 2017, v. 26, n. 3, p. 550, doi. 10.1002/pro.3104

By:

Mesa‐Galloso, Haydeé;
Delgado‐Magnero, Karelia H.;
Cabezas, Sheila;
López‐Castilla, Aracelys;
Hernández‐González, Jorge E.;
Pedrera, Lohans;
Alvarez, Carlos;
Peter Tieleman, D.;
García‐Sáez, Ana J.;
Lanio, Maria E.;
Ros, Uris;
Valiente, Pedro A.

Publication type:

Article

CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.

Published in:

Communications Biology, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s42003-022-04306-8

By:

Zhekova, Hristina R.;
Jiang, Jiansen;
Wang, Weiguang;
Tsirulnikov, Kirill;
Kayık, Gülru;
Khan, Hanif Muhammad;
Azimov, Rustam;
Abuladze, Natalia;
Kao, Liyo;
Newman, Debbie;
Noskov, Sergei Yu.;
Tieleman, D. Peter;
Hong Zhou, Z.;
Pushkin, Alexander;
Kurtz, Ira

Publication type:

Article

Computer simulations of voltage‐gated potassium channel KvAP.

Published in:

International Journal of Quantum Chemistry, 2004, v. 100, n. 6, p. 1071, doi. 10.1002/qua.20319

By:

Tieleman, D. Peter;
Robertson, Kindal M.;
Maccallum, Justin L.;
Monticelli, Luca

Publication type:

Article

Combination of the CHARMM27 force field with united-atom lipid force fields.

Published in:

Journal of Computational Chemistry, 2011, v. 32, n. 7, p. 1400, doi. 10.1002/jcc.21726

By:

Sapay, Nicolas;
Tieleman, D. Peter

Publication type:

Article

Molecular simulation of multistate peptide dynamics: A comparison between microsecond timescale sampling and multiple shorter trajectories.

Published in:

Journal of Computational Chemistry, 2008, v. 29, n. 11, p. 1740, doi. 10.1002/jcc.20935

By:

Monticelli, Luca;
Sorin, Eric J.;
Tieleman, D. Peter;
Pande, Vijay S.;
Colombo, Giorgio

Publication type:

Article

Modifying the OPLS-AA force field to improve hydration free energies for several amino acid side chains using new atomic charges and an off-plane charge model for aromatic residues.

Published in:

Journal of Computational Chemistry, 2007, v. 28, n. 3, p. 689, doi. 10.1002/jcc.20560

By:

Zhitao Xu;
Luo, Harry H.;
Tieleman, D. Peter

Publication type:

Article

Calculation of the watercyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field.

Published in:

Journal of Computational Chemistry, 2003, v. 24, n. 15, p. 1930

By:

Justin L. MacCallum;
D. Peter Tieleman

Publication type:

Article

Proline-induced hinges in transmembrane helices: Possible roles in ion channel gating.

Published in:

Proteins, 2001, v. 44, n. 2, p. 63, doi. 10.1002/prot.1073

By:

Tieleman, D. Peter;
Shrivastava, Indira H.;
Ulmschneider, Martin R.;
Sansom, Mark S.P.

Publication type:

Article

Structure and dynamics of the pore-lining helix of the nicotinic receptor: MD simulations in water, lipid bilayers, and transbilayer bundles.

Published in:

Proteins, 2000, v. 39, n. 1, p. 47, doi. 10.1002/(SICI)1097-0134(20000401)39:1<47::AID-PROT5>3.0.CO;2-A

By:

Law, Richard J.;
Forrest, Lucy R.;
Ranatunga, Kishani M.;
La Rocca, Paolo;
Tieleman, D. Peter;
Sansom, Mark S.P.

Publication type:

Article

Mutagenic Analysis of the Putative ABCC6 Substrate-Binding Cavity Using a New Homology Model.

Published in:

International Journal of Molecular Sciences, 2021, v. 22, n. 13, p. 6910, doi. 10.3390/ijms22136910

By:

Szeri, Flora;
Corradi, Valentina;
Niaziorimi, Fatemeh;
Donnelly, Sylvia;
Conseil, Gwenaëlle;
Cole, Susan P. C.;
Tieleman, D. Peter;
van de Wetering, Koen

Publication type:

Article

On the substrate turnover rate of NBCe1 and AE1 SLC4 transporters: structure-function considerations.

Published in:

Frontiers in Physiology, 2025, p. 1, doi. 10.3389/fphys.2024.1474628

By:

Pushkin, Alexander;
Kao, Liyo;
Zhekova, Hristina R.;
Azimov, Rustam;
Abuladze, Natalia;
Shao, Xuesi M.;
Tieleman, D. Peter;
Kurtz, Ira

Publication type:

Article

Orientation and interactions of dipolar molecules during transport through OmpF porin

Published in:

FEBS Letters, 2002, v. 528, n. 1-3, p. 53, doi. 10.1016/S0014-5793(02)03173-3

By:

Robertson, Kindal M.;
Tieleman, D. Peter

Publication type:

Article

Holo-BtuF stabilizes the open conformation of the vitamin B12 ABC transporter BtuCD.

Published in:

Proteins, 2010, v. 78, n. 3, p. 738, doi. 10.1002/prot.22606

By:

Kandt, Christian;
Tieleman, D. Peter

Publication type:

Article

Structural basis for antibacterial peptide self-immunity by the bacterial ABC transporter McjD.

Published in:

EMBO Journal, 2017, v. 36, n. 20, p. 3062, doi. 10.15252/embj.201797278

By:

Bountra, Kiran;
Hagelueken, Gregor;
Choudhury, Hassanul G;
Corradi, Valentina;
El Omari, Kamel;
Wagner, Armin;
Mathavan, Indran;
Zirah, Séverine;
Yuan Wahlgren, Weixiao;
Tieleman, D Peter;
Schiemann, Olav;
Rebuffat, Sylvie;
Beis, Konstantinos

Publication type:

Article

COMPUTER SIMULATIONS OF TRANSPORT THROUGH MEMBRANES: PASSIVE DIFFUSION, PORES, CHANNELS AND TRANSPORTERS.

Published in:

Clinical & Experimental Pharmacology & Physiology, 2006, v. 33, n. 10, p. 893, doi. 10.1111/j.1440-1681.2006.04461.x

By:

Tieleman, D. Peter

Publication type:

Article

Two decades of Martini: Better beads, broader scope.

Published in:

WIREs: Computational Molecular Science, 2023, v. 13, n. 1, p. 1, doi. 10.1002/wcms.1620

By:

Marrink, Siewert J.;
Monticelli, Luca;
Melo, Manuel N.;
Alessandri, Riccardo;
Tieleman, D. Peter;
Souza, Paulo C. T.

Publication type:

Article

PUFA stabilizes a conductive state of the selectivity filter in IKs channels.

Published in:

eLife, 2024, p. 1, doi. 10.7554/eLife.95852

By:

Golluscio, Alessia;
Eldstrom, Jodene;
Jowais, Jessica J.;
Perez, Marta Elena;
Cunningham, Kevin Peter;
De La Cruz, Alicia;
Xiaoan Wu;
Corradi, Valentina;
Tieleman, D. Peter;
Fedida, David;
Larsson, H. Peter

Publication type:

Article

Endocannabinoid regulation of inward rectifier potassium (Kir) channels.

Published in:

Frontiers in Pharmacology, 2024, p. 1, doi. 10.3389/fphar.2024.1439767

By:

Mayar, Sultan;
Borbuliak, Mariia;
Zoumpoulakis, Andreas;
Bouceba, Tahar;
Labonté, Madeleine M.;
Ahrari, Ameneh;
Sinniah, Niveny;
Memarpoor-Yazdi, Mina;
Vénien-Bryan, Catherine;
Tieleman, D. Peter;
D'Avanzo, Nazzareno

Publication type:

Article

Molecular dynamics simulations reveal that AEDANS is an inert fluorescent probe for the study of membrane proteins.

Published in:

European Biophysics Journal, 2010, v. 39, n. 2, p. 229, doi. 10.1007/s00249-009-0527-9

By:

Vos, Werner L.;
Schor, Marieke;
Baumgaertner, Artur;
Tieleman, D. Peter;
Hemminga, Marcus A.

Publication type:

Article

Implicit solvent model estimates of the stability of model structures of the alamethicin channel.

Published in:

European Biophysics Journal, 2004, v. 33, n. 1, p. 16, doi. 10.1007/s00249-003-0345-4

By:

Kessel, Amit;
Tieleman, D. Peter;
Ben-Tal, Nir

Publication type:

Article

A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field.

Published in:

European Biophysics Journal, 2003, v. 32, n. 1, p. 67, doi. 10.1007/s00249-002-0269-4

By:

Chandrasekhar, Indira;
Kastenholz, Mika;
Lins, Roberto D.;
Oostenbrink, Chris;
Schuler, Lukas D.;
Tieleman, D. Peter;
van Gunsteren, Wilfred F.

Publication type:

Article

Lipid regulation of hERG1 channel function.

Published in:

Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-021-21681-8

By:

Miranda, Williams E.;
Jiqing Guo;
Mesa-Galloso, Haydee;
Corradi, Valentina;
Lees-Miller, James P.;
Tieleman, D. Peter;
Duff, Henry J.;
Noskov, Sergei Yu.

Publication type:

Article

P-glycoprotein models of the apo and ATP-bound states based on homology with Sav1866 and MalK

Published in:

FEBS Letters, 2007, v. 581, n. 22, p. 4217, doi. 10.1016/j.febslet.2007.07.069

By:

O’Mara, Megan L.;
Tieleman, D. Peter

Publication type:

Article

Computer simulation of the KvAP voltage-gated potassium channel: steered molecular dynamics of the voltage sensor

Published in:

FEBS Letters, 2004, v. 564, n. 3, p. 325, doi. 10.1016/S0014-5793(04)00271-6

By:

Monticelli, Luca;
Robertson, Kindal M.;
MacCallum, Justin L.;
Tieleman, D. Peter

Publication type:

Article

Release of nanodiscs from charged nano-droplets in the electrospray ionization revealed by molecular dynamics simulations.

Published in:

Communications Chemistry, 2023, v. 6, n. 1, p. 1, doi. 10.1038/s42004-023-00818-4

By:

Wang, Beibei;
Tieleman, D. Peter

Publication type:

Article

Computer simulation of partitioning of ten pentapeptides Ace-WLXLL at the cyclohexane/water and phospholipid/water interfaces.

Published in:

BMC Biochemistry, 2005, v. 6, p. 30, doi. 10.1186/1471-2091-6-30

By:

Aliste, Marcela P;
Tieleman, D Peter

Publication type:

Article

The molecular basis of electroporation.

Published in:

BMC Biochemistry, 2004, v. 5, p. 10, doi. 10.1186/1471-2091-5-10

By:

Tieleman, D. Peter

Publication type:

Article

Probing catalytic rate enhancement during intramembrane proteolysis.

Published in:

Biological Chemistry, 2016, v. 397, n. 9, p. 907, doi. 10.1515/hsz-2016-0124

By:

Arutyunova, Elena;
Smithers, Cameron C.;
Corradi, Valentina;
Espiritu, Adam C.;
Young, Howard S.;
Tieleman, D. Peter;
Lemieux, M. Joanne

Publication type:

Article