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Items: 1 to 50 of 98

1.

Advancing therapeutic protein discovery and development through comprehensive computational and biophysical characterization.

Gentiluomo L, Svilenov HL, Augustijn D, El Bialy I, Greco ML, Kulakova A, Indrakumar S, Mahapatra S, Morales MM, Pohl C, Roche A, Tosstorff A, Curtis R, Derrick JP, Noergaard A, Khan TA, Peters GHJ, Pluen A, Rinnan Å, Streicher WW, van der Walle CF, Uddin S, Winter G, Roessner D, Harris P, Friess W.

Mol Pharm. 2019 Dec 2. doi: 10.1021/acs.molpharmaceut.9b00852. [Epub ahead of print]

PMID:
31790599
2.

Investigations of albumin-insulin detemir complexes using molecular dynamics simulations and free energy calculations.

Ryberg LA, Sønderby P, Bukrinski JT, Harris P, Peters GHJ.

Mol Pharm. 2019 Dec 2. doi: 10.1021/acs.molpharmaceut.9b00839. [Epub ahead of print]

PMID:
31790268
3.

Structural and functional aspects of mannuronic acid-specific PL6 alginate lyase from the human gut microbe Bacteroides cellulosilyticus.

Stender EGP, Dybdahl Andersen C, Fredslund F, Holck J, Solberg A, Teze D, Peters GHJ, Christensen BE, Aachmann FL, Welner DH, Svensson B.

J Biol Chem. 2019 Nov 22;294(47):17915-17930. doi: 10.1074/jbc.RA119.010206. Epub 2019 Sep 17.

4.

Structure-based discovery of a new protein-aggregation breaking excipient.

Tosstorff A, Svilenov H, Peters GHJ, Harris P, Winter G.

Eur J Pharm Biopharm. 2019 Nov;144:207-216. doi: 10.1016/j.ejpb.2019.09.010. Epub 2019 Sep 12.

PMID:
31521717
5.

Studies of the oligomerisation mechanism of a cystatin-based engineered protein scaffold.

Zalar M, Indrakumar S, Levy CW, Tunnicliffe RB, Peters GHJ, Golovanov AP.

Sci Rep. 2019 Jun 21;9(1):9067. doi: 10.1038/s41598-019-45565-6.

6.

Application of interpretable artificial neural networks to early monoclonal antibodies development.

Gentiluomo L, Roessner D, Augustijn D, Svilenov H, Kulakova A, Mahapatra S, Winter G, Streicher W, Rinnan Å, Peters GHJ, Harris P, Frieß W.

Eur J Pharm Biopharm. 2019 Aug;141:81-89. doi: 10.1016/j.ejpb.2019.05.017. Epub 2019 May 18.

PMID:
31112768
7.

Conformational Stability Study of a Therapeutic Peptide Plectasin Using Molecular Dynamics Simulations in Combination with NMR.

Indrakumar S, Zalar M, Pohl C, Nørgaard A, Streicher W, Harris P, Golovanov AP, Peters GHJ.

J Phys Chem B. 2019 Jun 13;123(23):4867-4877. doi: 10.1021/acs.jpcb.9b02370. Epub 2019 May 31.

PMID:
31099578
8.

Solution structures of long-acting insulin analogues and their complexes with albumin.

Ryberg LA, Sønderby P, Barrientos F, Bukrinski JT, Peters GHJ, Harris P.

Acta Crystallogr D Struct Biol. 2019 Mar 1;75(Pt 3):272-282. doi: 10.1107/S2059798318017552. Epub 2019 Feb 26.

PMID:
30950398
9.

Self-Interaction of Human Serum Albumin: A Formulation Perspective.

Sønderby P, Bukrinski JT, Hebditch M, Peters GHJ, Curtis RA, Harris P.

ACS Omega. 2018 Nov 30;3(11):16105-16117. doi: 10.1021/acsomega.8b02245. Epub 2018 Nov 28.

10.

Dual Nicotinic Acetylcholine Receptor α4β2 Antagonists/α7 Agonists: Synthesis, Docking Studies, and Pharmacological Evaluation of Tetrahydroisoquinolines and Tetrahydroisoquinolinium Salts.

Crestey F, Jensen AA, Soerensen C, Magnus CB, Andreasen JT, Peters GHJ, Kristensen JL.

J Med Chem. 2018 Feb 22;61(4):1719-1729. doi: 10.1021/acs.jmedchem.7b01895. Epub 2018 Feb 7.

PMID:
29384668
11.

Interaction between structurally different heteroexopolysaccharides and β-lactoglobulin studied by solution scattering and analytical ultracentrifugation.

Khan S, Birch J, Van Calsteren MR, Ipsen R, Peters GHJ, Svensson B, Harris P, Almdal K.

Int J Biol Macromol. 2018 May;111:746-754. doi: 10.1016/j.ijbiomac.2018.01.050. Epub 2018 Jan 10.

PMID:
29329814
12.

Isoform-Specific Substrate Inhibition Mechanism of Human Tryptophan Hydroxylase.

Tidemand KD, Peters GH, Harris P, Stensgaard E, Christensen HEM.

Biochemistry. 2017 Nov 21;56(46):6155-6164. doi: 10.1021/acs.biochem.7b00763. Epub 2017 Oct 27.

PMID:
29035515
13.

The influence of different linker modifications on the catalytic activity and cellulose affinity of cellobiohydrolase Cel7A from Hypocrea jecorina.

Badino SF, Bathke JK, Sørensen TH, Windahl MS, Jensen K, Peters GHJ, Borch K, Westh P.

Protein Eng Des Sel. 2017 Jul 1;30(7):495-501. doi: 10.1093/protein/gzx036.

PMID:
28873985
14.

Small-Angle X-ray Scattering Data in Combination with RosettaDock Improves the Docking Energy Landscape.

Sønderby P, Rinnan Å, Madsen JJ, Harris P, Bukrinski JT, Peters GHJ.

J Chem Inf Model. 2017 Oct 23;57(10):2463-2475. doi: 10.1021/acs.jcim.6b00789. Epub 2017 Sep 18.

PMID:
28853875
15.

Glucagon-like Peptide 1 Conjugated to Recombinant Human Serum Albumin Variants with Modified Neonatal Fc Receptor Binding Properties. Impact on Molecular Structure and Half-Life.

Bukrinski JT, Sønderby P, Antunes F, Andersen B, Schmidt EGW, Peters GHJ, Harris P.

Biochemistry. 2017 Sep 12;56(36):4860-4870. doi: 10.1021/acs.biochem.7b00492. Epub 2017 Aug 25.

PMID:
28799326
16.

Soluble 1:1 complexes and insoluble 3:2 complexes - Understanding the phase-solubility diagram of hydrocortisone and γ-cyclodextrin.

Schönbeck C, Madsen TL, Peters GH, Holm R, Loftsson T.

Int J Pharm. 2017 Oct 15;531(2):504-511. doi: 10.1016/j.ijpharm.2017.05.024. Epub 2017 May 11.

PMID:
28502894
17.

Revealing the Compact Structure of Lactic Acid Bacterial Heteroexopolysaccharides by SAXS and DLS.

Khan S, Birch J, Harris P, Van Calsteren MR, Ipsen R, Peters GH, Svensson B, Almdal K.

Biomacromolecules. 2017 Mar 13;18(3):747-756. doi: 10.1021/acs.biomac.6b01597. Epub 2017 Feb 13.

PMID:
28042938
18.

Chemoenzymatic synthesis of fluorogenic phospholipids and evaluation in assays of phospholipases A, C and D.

Piel MS, Peters GH, Brask J.

Chem Phys Lipids. 2017 Jan;202:49-54. doi: 10.1016/j.chemphyslip.2016.12.002. Epub 2016 Dec 10.

PMID:
27964890
19.

Stabilization of tryptophan hydroxylase 2 by l-phenylalanine-induced dimerization.

Tidemand KD, Christensen HE, Hoeck N, Harris P, Boesen J, Peters GH.

FEBS Open Bio. 2016 Aug 22;6(10):987-999. eCollection 2016 Oct.

20.

In silico study of amphiphilic nanotubes based on cyclic peptides in polar and non-polar solvent.

Vijayakumar V, Vijayaraj R, Peters GH.

J Mol Model. 2016 Nov;22(11):264. Epub 2016 Oct 13.

PMID:
27734210
21.

Theoretical Assessment of Fluorinated Phospholipids in the Design of Liposomal Drug-Delivery Systems.

Madsen JJ, Fristrup P, Peters GH.

J Phys Chem B. 2016 Sep 15;120(36):9661-71. doi: 10.1021/acs.jpcb.6b07206. Epub 2016 Sep 7.

PMID:
27557037
22.

Structure and dynamics of water and lipid molecules in charged anionic DMPG lipid bilayer membranes.

Rønnest AK, Peters GH, Hansen FY, Taub H, Miskowiec A.

J Chem Phys. 2016 Apr 14;144(14):144904. doi: 10.1063/1.4945278.

PMID:
27083749
23.

The Importance of Magnesium in the Human Body: A Systematic Literature Review.

Glasdam SM, Glasdam S, Peters GH.

Adv Clin Chem. 2016;73:169-93. doi: 10.1016/bs.acc.2015.10.002. Epub 2016 Jan 13. Review.

PMID:
26975973
24.

Membrane Interaction of the Factor VIIIa Discoidin Domains in Atomistic Detail.

Madsen JJ, Ohkubo YZ, Peters GH, Faber JH, Tajkhorshid E, Olsen OH.

Biochemistry. 2015 Oct 6;54(39):6123-31. doi: 10.1021/acs.biochem.5b00417. Epub 2015 Sep 30.

25.

Oligomerization of a Glucagon-like Peptide 1 Analog: Bridging Experiment and Simulations.

Frederiksen TM, Sønderby P, Ryberg LA, Harris P, Bukrinski JT, Scharff-Poulsen AM, Elf-Lind MN, Peters GH.

Biophys J. 2015 Sep 15;109(6):1202-13. doi: 10.1016/j.bpj.2015.07.051. Epub 2015 Sep 1.

26.

Exploring the local elastic properties of bilayer membranes using molecular dynamics simulations.

Pieffet G, Botero A, Peters GH, Forero-Shelton M, Leidy C.

J Phys Chem B. 2014 Nov 13;118(45):12883-91. doi: 10.1021/jp504427a. Epub 2014 Nov 4.

PMID:
25325715
27.

Interaction of neurotransmitters with a phospholipid bilayer: a molecular dynamics study.

Peters GH, Werge M, Elf-Lind MN, Madsen JJ, Velardez GF, Westh P.

Chem Phys Lipids. 2014 Dec;184:7-17. doi: 10.1016/j.chemphyslip.2014.08.003. Epub 2014 Aug 23.

PMID:
25159594
28.

Computational investigation of enthalpy-entropy compensation in complexation of glycoconjugated bile salts with β-cyclodextrin and analogs.

Tidemand KD, Schönbeck C, Holm R, Westh P, Peters GH.

J Phys Chem B. 2014 Sep 18;118(37):10889-97. doi: 10.1021/jp506716d. Epub 2014 Sep 8.

PMID:
25158050
29.

Methyl 1-ethyl-3'-[hy-droxy(naphthalen-1-yl)meth-yl]-1'-methyl-2-oxo-spiro-[indo-line-3,2'-pyrrolidine]-3'-carboxyl-ate.

Vijayakumar V, Peters GH, Suresh M, Raghavachary R, Jagadeesan G.

Acta Crystallogr Sect E Struct Rep Online. 2014 Apr 12;70(Pt 5):o540. doi: 10.1107/S1600536814007065. eCollection 2014 May 1.

30.

Development of a cysteine-deprived and C-terminally truncated GLP-1 receptor.

Underwood CR, Knudsen LB, Garibay PW, Peters GH, Reedtz-Runge S.

Peptides. 2013 Nov;49:100-8. doi: 10.1016/j.peptides.2013.09.001. Epub 2013 Sep 14.

PMID:
24045233
31.

Binding of serotonin to lipid membranes.

Peters GH, Wang C, Cruys-Bagger N, Velardez GF, Madsen JJ, Westh P.

J Am Chem Soc. 2013 Feb 13;135(6):2164-71. doi: 10.1021/ja306681d. Epub 2013 Jan 31.

PMID:
23311719
32.

Diffusion of water and selected atoms in DMPC lipid bilayer membranes.

Hansen FY, Peters GH, Taub H, Miskowiec A.

J Chem Phys. 2012 Nov 28;137(20):204910. doi: 10.1063/1.4767568.

PMID:
23206034
33.

Protein dynamics in organic media at varying water activity studied by molecular dynamics simulation.

Wedberg R, Abildskov J, Peters GH.

J Phys Chem B. 2012 Mar 1;116(8):2575-85. doi: 10.1021/jp211054u. Epub 2012 Feb 22.

PMID:
22309501
34.

Transmembrane α-helix 2 and 7 are important for small molecule-mediated activation of the GLP-1 receptor.

Rye Underwood C, Møller Knudsen S, Schjellerup Wulff B, Bräuner-Osborne H, Lau J, Knudsen LB, Peters GH, Reedtz-Runge S.

Pharmacology. 2011;88(5-6):340-8. doi: 10.1159/000334338. Epub 2011 Nov 30.

PMID:
22134089
35.

Pair correlation function integrals: computation and use.

Wedberg R, O'Connell JP, Peters GH, Abildskov J.

J Chem Phys. 2011 Aug 28;135(8):084113. doi: 10.1063/1.3626799.

PMID:
21895165
36.

Membrane restructuring by phospholipase A2 is regulated by the presence of lipid domains.

Leidy C, Ocampo J, Duelund L, Mouritsen OG, Jørgensen K, Peters GH.

Biophys J. 2011 Jul 6;101(1):90-9. doi: 10.1016/j.bpj.2011.02.062.

37.

Secretory phospholipase A2 activity toward diverse substrates.

Madsen JJ, Linderoth L, Subramanian AK, Andresen TL, Peters GH.

J Phys Chem B. 2011 Jun 2;115(21):6853-61. doi: 10.1021/jp112137b. Epub 2011 May 11.

PMID:
21561115
38.

Reconciliation of opposing views on membrane-sugar interactions.

Andersen HD, Wang C, Arleth L, Peters GH, Westh P.

Proc Natl Acad Sci U S A. 2011 Feb 1;108(5):1874-8. doi: 10.1073/pnas.1012516108. Epub 2011 Jan 18.

39.

Synthesis and serotonin transporter activity of 1,3-bis(aryl)-2-nitro-1-propenes as a new class of anticancer agents.

McNamara YM, Cloonan SM, Knox AJ, Keating JJ, Butler SG, Peters GH, Meegan MJ, Williams DC.

Bioorg Med Chem. 2011 Feb 1;19(3):1328-48. doi: 10.1016/j.bmc.2010.11.054. Epub 2010 Dec 7.

PMID:
21227702
40.

Affinity of four polar neurotransmitters for lipid bilayer membranes.

Wang C, Ye F, Velardez GF, Peters GH, Westh P.

J Phys Chem B. 2011 Jan 13;115(1):196-203. doi: 10.1021/jp108368w. Epub 2010 Dec 15. Erratum in: J Phys Chem B. 2012 Jan 12;116(1):733. Valardez, Gustavo F [corrected to Velardez, Gustavo F].

PMID:
21158460
41.

Substrate recognition in the Escherichia coli ammonia channel AmtB: a QM/MM investigation.

Nygaard TP, Alfonso-Prieto M, Peters GH, Jensen MØ, Rovira C.

J Phys Chem B. 2010 Sep 16;114(36):11859-65. doi: 10.1021/jp102338h.

PMID:
20731403
42.

Liposomal formulation of retinoids designed for enzyme triggered release.

Pedersen PJ, Adolph SK, Subramanian AK, Arouri A, Andresen TL, Mouritsen OG, Madsen R, Madsen MW, Peters GH, Clausen MH.

J Med Chem. 2010 May 13;53(9):3782-92. doi: 10.1021/jm100190c.

PMID:
20405849
43.

Correlated volume-energy fluctuations of phospholipid membranes: a simulation study.

Pedersen UR, Peters GH, Schrøder TB, Dyre JC.

J Phys Chem B. 2010 Feb 18;114(6):2124-30. doi: 10.1021/jp9086865.

44.

Crystal structure of glucagon-like peptide-1 in complex with the extracellular domain of the glucagon-like peptide-1 receptor.

Underwood CR, Garibay P, Knudsen LB, Hastrup S, Peters GH, Rudolph R, Reedtz-Runge S.

J Biol Chem. 2010 Jan 1;285(1):723-30. doi: 10.1074/jbc.M109.033829. Epub 2009 Oct 27.

45.

Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents.

Cloonan SM, Keating JJ, Butler SG, Knox AJ, Jørgensen AM, Peters GH, Rai D, Corrigan D, Lloyd DG, Williams DC, Meegan MJ.

Eur J Med Chem. 2009 Dec;44(12):4862-88. doi: 10.1016/j.ejmech.2009.07.027. Epub 2009 Aug 6.

PMID:
19717215
46.

Mechanistic study of the sPLA2-mediated hydrolysis of a thio-ester pro anticancer ether lipid.

Linderoth L, Fristrup P, Hansen M, Melander F, Madsen R, Andresen TL, Peters GH.

J Am Chem Soc. 2009 Sep 2;131(34):12193-200. doi: 10.1021/ja901412j.

PMID:
19663381
47.

Effects of fatty acid inclusion in a DMPC bilayer membrane.

Peters GH, Hansen FY, Møller MS, Westh P.

J Phys Chem B. 2009 Jan 8;113(1):92-102. doi: 10.1021/jp806205m.

PMID:
19195101
48.

Drug delivery by an enzyme-mediated cyclization of a lipid prodrug with unique bilayer-formation properties.

Linderoth L, Peters GH, Madsen R, Andresen TL.

Angew Chem Int Ed Engl. 2009;48(10):1823-6. doi: 10.1002/anie.200805241.

PMID:
19173369
49.

Proof of the identity between the depletion layer thickness and half the average span for an arbitrary polymer chain.

Wang Y, Hansen FY, Peters GH, Hassager O.

J Chem Phys. 2008 Aug 21;129(7):074904. doi: 10.1063/1.2970935.

PMID:
19044801
50.

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