Format
Sort by
Items per page

Send to

Choose Destination

Search results

Items: 1 to 50 of 110

1.

Oxidation Resistance 1 Modulates Glycolytic Pathways in the Cerebellum via an Interaction with Glucose-6-Phosphate Isomerase.

Finelli MJ, Paramo T, Pires E, Ryan BJ, Wade-Martins R, Biggin PC, McCullagh J, Oliver PL.

Mol Neurobiol. 2018 Jun 15. doi: 10.1007/s12035-018-1174-x. [Epub ahead of print]

PMID:
29905912
2.

Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo.

Aldeghi M, Ross GA, Bodkin MJ, Essex JW, Knapp S, Biggin PC.

Commun Chem. 2018 Apr 5;1. pii: 19. doi: 10.1038/s42004-018-0019-x.

3.

BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability.

Jennings LE, Schiedel M, Hewings DS, Picaud S, Laurin CMC, Bruno PA, Bluck JP, Scorah AR, See L, Reynolds JK, Moroglu M, Mistry IN, Hicks A, Guzanov P, Clayton J, Evans CNG, Stazi G, Biggin PC, Mapp AK, Hammond EM, Humphreys PG, Filippakopoulos P, Conway SJ.

Bioorg Med Chem. 2018 Jul 15;26(11):2937-2957. doi: 10.1016/j.bmc.2018.05.003. Epub 2018 May 15.

4.

Absolute Alchemical Free Energy Calculations for Ligand Binding: A Beginner's Guide.

Aldeghi M, Bluck JP, Biggin PC.

Methods Mol Biol. 2018;1762:199-232. doi: 10.1007/978-1-4939-7756-7_11.

PMID:
29594774
5.

Computational methods to examine conformational changes and ligand-binding properties: Examples in neurobiology.

Dämgen MA, Biggin PC.

Neurosci Lett. 2018 Mar 5. pii: S0304-3940(18)30173-3. doi: 10.1016/j.neulet.2018.03.004. [Epub ahead of print] Review.

PMID:
29518541
6.

Multiscale molecular dynamics simulations of lipid interactions with P-glycoprotein in a complex membrane.

Domicevica L, Koldsø H, Biggin PC.

J Mol Graph Model. 2018 Mar;80:147-156. doi: 10.1016/j.jmgm.2017.12.022. Epub 2017 Dec 30.

PMID:
29353693
7.

GPCRs: What Can We Learn from Molecular Dynamics Simulations?

Velgy N, Hedger G, Biggin PC.

Methods Mol Biol. 2018;1705:133-158. doi: 10.1007/978-1-4939-7465-8_6.

PMID:
29188561
8.

Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites.

Laverty D, Thomas P, Field M, Andersen OJ, Gold MG, Biggin PC, Gielen M, Smart TG.

Nat Struct Mol Biol. 2017 Nov;24(11):977-985. doi: 10.1038/nsmb.3477. Epub 2017 Oct 2.

PMID:
28967882
9.

Functional Validation of Heteromeric Kainate Receptor Models.

Paramo T, Brown PMGE, Musgaard M, Bowie D, Biggin PC.

Biophys J. 2017 Nov 21;113(10):2173-2177. doi: 10.1016/j.bpj.2017.08.047. Epub 2017 Sep 19.

10.

Multiscale molecular dynamics simulations of lipid interactions with P-glycoprotein in a complex membrane.

Domicevica L, Koldsø H, Biggin PC.

J Mol Graph Model. 2017 Sep 2;77:250-258. doi: 10.1016/j.jmgm.2017.09.002. [Epub ahead of print]

PMID:
28903085
11.

Statistical Analysis on the Performance of Molecular Mechanics Poisson-Boltzmann Surface Area versus Absolute Binding Free Energy Calculations: Bromodomains as a Case Study.

Aldeghi M, Bodkin MJ, Knapp S, Biggin PC.

J Chem Inf Model. 2017 Sep 25;57(9):2203-2221. doi: 10.1021/acs.jcim.7b00347. Epub 2017 Aug 24.

12.

Insights into channel dysfunction from modelling and molecular dynamics simulations.

Musgaard M, Paramo T, Domicevica L, Andersen OJ, Biggin PC.

Neuropharmacology. 2018 Apr;132:20-30. doi: 10.1016/j.neuropharm.2017.06.030. Epub 2017 Jun 29. Review.

13.

Waterdock 2.0: Water placement prediction for Holo-structures with a pymol plugin.

Sridhar A, Ross GA, Biggin PC.

PLoS One. 2017 Feb 24;12(2):e0172743. doi: 10.1371/journal.pone.0172743. eCollection 2017.

14.

The Startle Disease Mutation E103K Impairs Activation of Human Homomeric α1 Glycine Receptors by Disrupting an Intersubunit Salt Bridge across the Agonist Binding Site.

Safar F, Hurdiss E, Erotocritou M, Greiner T, Lape R, Irvine MW, Fang G, Jane D, Yu R, Dämgen MA, Biggin PC, Sivilotti LG.

J Biol Chem. 2017 Mar 24;292(12):5031-5042. doi: 10.1074/jbc.M116.767616. Epub 2017 Feb 7.

15.

Predictions of Ligand Selectivity from Absolute Binding Free Energy Calculations.

Aldeghi M, Heifetz A, Bodkin MJ, Knapp S, Biggin PC.

J Am Chem Soc. 2017 Jan 18;139(2):946-957. doi: 10.1021/jacs.6b11467. Epub 2017 Jan 9.

16.

Role of the Cys Loop and Transmembrane Domain in the Allosteric Modulation of α4β2 Nicotinic Acetylcholine Receptors.

Alcaino C, Musgaard M, Minguez T, Mazzaferro S, Faundez M, Iturriaga-Vasquez P, Biggin PC, Bermudez I.

J Biol Chem. 2017 Jan 13;292(2):551-562. doi: 10.1074/jbc.M116.751206. Epub 2016 Nov 18.

17.

Guiding lead optimization with GPCR structure modeling and molecular dynamics.

Heifetz A, James T, Morao I, Bodkin MJ, Biggin PC.

Curr Opin Pharmacol. 2016 Oct;30:14-21. doi: 10.1016/j.coph.2016.06.004. Epub 2016 Jul 13. Review.

PMID:
27419904
18.

Beyond Membrane Protein Structure: Drug Discovery, Dynamics and Difficulties.

Biggin PC, Aldeghi M, Bodkin MJ, Heifetz A.

Adv Exp Med Biol. 2016;922:161-181. doi: 10.1007/978-3-319-35072-1_12.

PMID:
27553242
19.

Steered Molecular Dynamics Simulations Predict Conformational Stability of Glutamate Receptors.

Musgaard M, Biggin PC.

J Chem Inf Model. 2016 Sep 26;56(9):1787-97. doi: 10.1021/acs.jcim.6b00297. Epub 2016 Aug 12.

PMID:
27482759
20.

The solvation structure of alprazolam.

Sridhar A, Johnston AJ, Varathan L, McLain SE, Biggin PC.

Phys Chem Chem Phys. 2016 Aug 10;18(32):22416-25. doi: 10.1039/c6cp02645a.

PMID:
27465367
21.

A Numbering System for MFS Transporter Proteins.

Lee J, Sands ZA, Biggin PC.

Front Mol Biosci. 2016 Jun 2;3:21. doi: 10.3389/fmolb.2016.00021. eCollection 2016.

22.

Using the fragment molecular orbital method to investigate agonist-orexin-2 receptor interactions.

Heifetz A, Aldeghi M, Chudyk EI, Fedorov DG, Bodkin MJ, Biggin PC.

Biochem Soc Trans. 2016 Apr 15;44(2):574-81. doi: 10.1042/BST20150250. Review.

23.

Distinct Structural Pathways Coordinate the Activation of AMPA Receptor-Auxiliary Subunit Complexes.

Dawe GB, Musgaard M, Aurousseau MRP, Nayeem N, Green T, Biggin PC, Bowie D.

Neuron. 2016 Mar 16;89(6):1264-1276. doi: 10.1016/j.neuron.2016.01.038. Epub 2016 Feb 25.

24.

Application of an Integrated GPCR SAR-Modeling Platform To Explain the Activation Selectivity of Human 5-HT2C over 5-HT2B.

Heifetz A, Storer RI, McMurray G, James T, Morao I, Aldeghi M, Bodkin MJ, Biggin PC.

ACS Chem Biol. 2016 May 20;11(5):1372-82. doi: 10.1021/acschembio.5b01045. Epub 2016 Mar 7.

PMID:
26900768
25.

Accurate calculation of the absolute free energy of binding for drug molecules.

Aldeghi M, Heifetz A, Bodkin MJ, Knapp S, Biggin PC.

Chem Sci. 2016 Jan 14;7(1):207-218. Epub 2015 Oct 7.

26.

Role of an Absolutely Conserved Tryptophan Pair in the Extracellular Domain of Cys-Loop Receptors.

Braun N, Lynagh T, Yu R, Biggin PC, Pless SA.

ACS Chem Neurosci. 2016 Mar 16;7(3):339-48. doi: 10.1021/acschemneuro.5b00298. Epub 2016 Jan 29.

PMID:
26764897
27.

Selective targeting of the BRG/PB1 bromodomains impairs embryonic and trophoblast stem cell maintenance.

Fedorov O, Castex J, Tallant C, Owen DR, Martin S, Aldeghi M, Monteiro O, Filippakopoulos P, Picaud S, Trzupek JD, Gerstenberger BS, Bountra C, Willmann D, Wells C, Philpott M, Rogers C, Biggin PC, Brennan PE, Bunnage ME, Schüle R, Günther T, Knapp S, Müller S.

Sci Adv. 2015 Nov 13;1(10):e1500723. doi: 10.1126/sciadv.1500723. eCollection 2015 Nov.

28.

Kainate receptor pore-forming and auxiliary subunits regulate channel block by a novel mechanism.

Brown PM, Aurousseau MR, Musgaard M, Biggin PC, Bowie D.

J Physiol. 2016 Apr 1;594(7):1821-40. doi: 10.1113/JP271690. Epub 2016 Feb 2.

29.

On the atomic structure of cocaine in solution.

Johnston AJ, Busch S, Pardo LC, Callear SK, Biggin PC, McLain SE.

Phys Chem Chem Phys. 2016 Jan 14;18(2):991-9. doi: 10.1039/c5cp06090g.

PMID:
26660073
30.

The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR-Ligand Interactions.

Heifetz A, Chudyk EI, Gleave L, Aldeghi M, Cherezov V, Fedorov DG, Biggin PC, Bodkin MJ.

J Chem Inf Model. 2016 Jan 25;56(1):159-72. doi: 10.1021/acs.jcim.5b00644. Epub 2015 Dec 24.

PMID:
26642258
31.

Homology modelling of human P-glycoprotein.

Domicevica L, Biggin PC.

Biochem Soc Trans. 2015 Oct;43(5):952-8. doi: 10.1042/BST20150125. Review.

PMID:
26517909
32.

Discovery of the First Selective, Nonpeptidic Orexin 2 Receptor Agonists.

Heifetz A, Bodkin MJ, Biggin PC.

J Med Chem. 2015 Oct 22;58(20):7928-30. doi: 10.1021/acs.jmedchem.5b01394. Epub 2015 Sep 16.

PMID:
26375584
33.

Position and orientational preferences of drug-like compounds in lipid membranes: a computational and NMR approach.

Ma J, Domicevica L, Schnell JR, Biggin PC.

Phys Chem Chem Phys. 2015 Aug 14;17(30):19766-76. doi: 10.1039/c5cp03218k.

PMID:
26153345
34.

GPCR structure, function, drug discovery and crystallography: report from Academia-Industry International Conference (UK Royal Society) Chicheley Hall, 1-2 September 2014.

Heifetz A, Schertler GF, Seifert R, Tate CG, Sexton PM, Gurevich VV, Fourmy D, Cherezov V, Marshall FH, Storer RI, Moraes I, Tikhonova IG, Tautermann CS, Hunt P, Ceska T, Hodgson S, Bodkin MJ, Singh S, Law RJ, Biggin PC.

Naunyn Schmiedebergs Arch Pharmacol. 2015 Aug;388(8):883-903. doi: 10.1007/s00210-015-1111-8. Epub 2015 Mar 14.

35.

Exploring the interaction of SV2A with racetams using homology modelling, molecular dynamics and site-directed mutagenesis.

Lee J, Daniels V, Sands ZA, Lebon F, Shi J, Biggin PC.

PLoS One. 2015 Feb 18;10(2):e0116589. doi: 10.1371/journal.pone.0116589. eCollection 2015.

36.

Molecular dynamics simulations of membrane proteins.

Biggin PC, Bond PJ.

Methods Mol Biol. 2015;1215:91-108. doi: 10.1007/978-1-4939-1465-4_5.

PMID:
25330960
37.

Agonist and antagonist binding in human glycine receptors.

Yu R, Hurdiss E, Greiner T, Lape R, Sivilotti L, Biggin PC.

Biochemistry. 2014 Sep 30;53(38):6041-51. doi: 10.1021/bi500815f. Epub 2014 Sep 15.

PMID:
25184435
38.

Non-equivalent ligand selectivity of agonist sites in (α4β2)2α4 nicotinic acetylcholine receptors: a key determinant of agonist efficacy.

Mazzaferro S, Gasparri F, New K, Alcaino C, Faundez M, Iturriaga Vasquez P, Vijayan R, Biggin PC, Bermudez I.

J Biol Chem. 2014 Aug 1;289(31):21795-806. doi: 10.1074/jbc.M114.555136. Epub 2014 Jun 16.

39.

Actions of agonists, fipronil and ivermectin on the predominant in vivo splice and edit variant (RDLbd, I/V) of the Drosophila GABA receptor expressed in Xenopus laevis oocytes.

Lees K, Musgaard M, Suwanmanee S, Buckingham SD, Biggin P, Sattelle D.

PLoS One. 2014 May 13;9(5):e97468. doi: 10.1371/journal.pone.0097468. eCollection 2014.

40.

Towards understanding promiscuity in multidrug efflux pumps.

Wong K, Ma J, Rothnie A, Biggin PC, Kerr ID.

Trends Biochem Sci. 2014 Jan;39(1):8-16. doi: 10.1016/j.tibs.2013.11.002. Epub 2013 Dec 6. Review.

PMID:
24316304
41.

Toward an understanding of agonist binding to human Orexin-1 and Orexin-2 receptors with G-protein-coupled receptor modeling and site-directed mutagenesis.

Heifetz A, Barker O, Morris GB, Law RJ, Slack M, Biggin PC.

Biochemistry. 2013 Nov 19;52(46):8246-60. doi: 10.1021/bi401119m. Epub 2013 Nov 8.

42.

One Size Does Not Fit All: The Limits of Structure-Based Models in Drug Discovery.

Ross GA, Morris GM, Biggin PC.

J Chem Theory Comput. 2013 Sep 10;9(9):4266-4274. Epub 2013 Aug 5.

43.

Defining the structural relationship between kainate-receptor deactivation and desensitization.

Dawe GB, Musgaard M, Andrews ED, Daniels BA, Aurousseau MR, Biggin PC, Bowie D.

Nat Struct Mol Biol. 2013 Sep;20(9):1054-61. doi: 10.1038/nsmb.2654. Epub 2013 Aug 18.

44.

Mutationmapper: a tool to aid the mapping of protein mutation data.

Vohra S, Biggin PC.

PLoS One. 2013 Aug 9;8(8):e71711. doi: 10.1371/journal.pone.0071711. eCollection 2013.

45.

The dynamics of camphor in the cytochrome P450 CYP101D2.

Vohra S, Musgaard M, Bell SG, Wong LL, Zhou W, Biggin PC.

Protein Sci. 2013 Sep;22(9):1218-29. doi: 10.1002/pro.2309. Epub 2013 Aug 12.

46.

Mass spectrometry reveals synergistic effects of nucleotides, lipids, and drugs binding to a multidrug resistance efflux pump.

Marcoux J, Wang SC, Politis A, Reading E, Ma J, Biggin PC, Zhou M, Tao H, Zhang Q, Chang G, Morgner N, Robinson CV.

Proc Natl Acad Sci U S A. 2013 Jun 11;110(24):9704-9. doi: 10.1073/pnas.1303888110. Epub 2013 May 20.

47.

Substrate versus inhibitor dynamics of P-glycoprotein.

Ma J, Biggin PC.

Proteins. 2013 Sep;81(9):1653-68. doi: 10.1002/prot.24324. Epub 2013 Jun 17.

PMID:
23670856
48.

The role of flexibility and conformational selection in the binding promiscuity of PDZ domains.

Münz M, Hein J, Biggin PC.

PLoS Comput Biol. 2012;8(11):e1002749. doi: 10.1371/journal.pcbi.1002749. Epub 2012 Nov 1.

49.

Protein dynamics--a moving target: comment on "Comparing proteins by their internal dynamics: exploring structure-function relationships beyond static structural alignments" by C. Micheletti.

Biggin PC.

Phys Life Rev. 2013 Mar;10(1):27-8; discussion 39-40. doi: 10.1016/j.plrev.2012.10.005. Epub 2012 Oct 26. No abstract available.

PMID:
23122425
50.

An interview with Philip Biggin, Section Editor for Computational, in silico and modelling studies.

Biggin PC.

BMC Pharmacol Toxicol. 2012 Aug 13;13:2. doi: 10.1186/2050-6511-13-2. No abstract available.

Supplemental Content

Loading ...
Support Center