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Items: 1 to 50 of 131

1.

Comparative docking to distinct G protein-coupled receptor conformations exclusively yields ligands with agonist efficacy.

Scharf MM, Bunemann M, Baker JG, Kolb P.

Mol Pharmacol. 2019 Oct 17. pii: mol.119.117515. doi: 10.1124/mol.119.117515. [Epub ahead of print]

2.

Guava (Psidium guajava) Fruit Extract Prepared by Supercritical CO2 Extraction Inhibits Intestinal Glucose Resorption in a Double-Blind, Randomized Clinical Study.

König A, Schwarzinger B, Stadlbauer V, Lanzerstorfer P, Iken M, Schwarzinger C, Kolb P, Schwarzinger S, Mörwald K, Brunner S, Höglinger O, Weghuber D, Weghuber J.

Nutrients. 2019 Jul 3;11(7). pii: E1512. doi: 10.3390/nu11071512.

3.

Interrogating dense ligand chemical space with a forward-synthetic library.

Chevillard F, Stotani S, Karawajczyk A, Hristeva S, Pardon E, Steyaert J, Tzalis D, Kolb P.

Proc Natl Acad Sci U S A. 2019 Jun 4;116(23):11496-11501. doi: 10.1073/pnas.1818718116. Epub 2019 May 21.

PMID:
31113876
4.

Direct targeting of Gαq and Gα11 oncoproteins in cancer cells.

Annala S, Feng X, Shridhar N, Eryilmaz F, Patt J, Yang J, Pfeil EM, Cervantes-Villagrana RD, Inoue A, Häberlein F, Slodczyk T, Reher R, Kehraus S, Monteleone S, Schrage R, Heycke N, Rick U, Engel S, Pfeifer A, Kolb P, König G, Bünemann M, Tüting T, Vázquez-Prado J, Gutkind JS, Gaffal E, Kostenis E.

Sci Signal. 2019 Mar 19;12(573). pii: eaau5948. doi: 10.1126/scisignal.aau5948.

PMID:
30890659
5.

Virtual Compound Libraries in Computer-Assisted Drug Discovery.

van Hilten N, Chevillard F, Kolb P.

J Chem Inf Model. 2019 Feb 25;59(2):644-651. doi: 10.1021/acs.jcim.8b00737. Epub 2019 Jan 24.

PMID:
30624918
6.

Identification and Functional Characterization of a Novel Fc Gamma-Binding Glycoprotein in Rhesus Cytomegalovirus.

Kolb P, Sijmons S, McArdle MR, Taher H, Womack J, Hughes C, Ventura A, Jarvis MA, Stahl-Hennig C, Hansen S, Picker LJ, Malouli D, Hengel H, Früh K.

J Virol. 2019 Feb 5;93(4). pii: e02077-18. doi: 10.1128/JVI.02077-18. Print 2019 Feb 15.

7.

IL-6 mediates ER expansion during hyperpolarization of alternatively activated macrophages.

Ayaub EA, Tandon K, Padwal M, Imani J, Patel H, Dubey A, Mekhael O, Upagupta C, Ayoub A, Dvorkin-Gheva A, Murphy J, Kolb PS, Lhotak S, Dickhout JG, Austin RC, Kolb MRJ, Richards CD, Ask K.

Immunol Cell Biol. 2019 Feb;97(2):203-217. doi: 10.1111/imcb.12212. Epub 2018 Nov 14.

PMID:
30298952
8.

Displaying Whole-Chain Proteins on Hepatitis B Virus Capsid-Like Particles.

Heger-Stevic J, Kolb P, Walker A, Nassal M.

Methods Mol Biol. 2018;1776:503-531. doi: 10.1007/978-1-4939-7808-3_33.

PMID:
29869263
9.

Nanobody-Enabled Reverse Pharmacology on G-Protein-Coupled Receptors.

Pardon E, Betti C, Laeremans T, Chevillard F, Guillemyn K, Kolb P, Ballet S, Steyaert J.

Angew Chem Int Ed Engl. 2018 May 4;57(19):5292-5295. doi: 10.1002/anie.201712581. Epub 2018 Mar 30.

PMID:
29469969
10.

Binding-Site Compatible Fragment Growing Applied to the Design of β2-Adrenergic Receptor Ligands.

Chevillard F, Rimmer H, Betti C, Pardon E, Ballet S, van Hilten N, Steyaert J, Diederich WE, Kolb P.

J Med Chem. 2018 Feb 8;61(3):1118-1129. doi: 10.1021/acs.jmedchem.7b01558. Epub 2018 Jan 24.

PMID:
29364664
11.

Identification and in silico structural analysis of Gallus gallus protein arginine methyltransferase 4 (PRMT4).

Berberich H, Terwesten F, Rakow S, Sahu P, Bouchard C, Meixner M, Philipsen S, Kolb P, Bauer UM.

FEBS Open Bio. 2017 Oct 10;7(12):1909-1923. doi: 10.1002/2211-5463.12323. eCollection 2017 Dec.

12.

The allosteric site regulates the voltage sensitivity of muscarinic receptors.

Hoppe A, Marti-Solano M, Drabek M, Bünemann M, Kolb P, Rinne A.

Cell Signal. 2018 Jan;42:114-126. doi: 10.1016/j.cellsig.2017.10.011. Epub 2017 Oct 19.

PMID:
29056499
13.

Anxiety, Depression, and Health-Related QOL in Patients Diagnosed with PAH or CTEPH.

Pfeuffer E, Krannich H, Halank M, Wilkens H, Kolb P, Jany B, Held M.

Lung. 2017 Dec;195(6):759-768. doi: 10.1007/s00408-017-0052-z. Epub 2017 Oct 9.

PMID:
28993877
14.

Similarity- and Substructure-Based Development of β2-Adrenergic Receptor Ligands Based on Unusual Scaffolds.

Schmidt D, Gunera J, Baker JG, Kolb P.

ACS Med Chem Lett. 2017 Mar 27;8(5):481-485. doi: 10.1021/acsmedchemlett.6b00363. eCollection 2017 May 11.

15.

An open source pharma roadmap.

Balasegaram M, Kolb P, McKew J, Menon J, Olliaro P, Sablinski T, Thomas Z, Todd MH, Torreele E, Wilbanks J.

PLoS Med. 2017 Apr 18;14(4):e1002276. doi: 10.1371/journal.pmed.1002276. eCollection 2017 Apr.

16.

PrenDB, a Substrate Prediction Database to Enable Biocatalytic Use of Prenyltransferases.

Gunera J, Kindinger F, Li SM, Kolb P.

J Biol Chem. 2017 Mar 10;292(10):4003-4021. doi: 10.1074/jbc.M116.759118. Epub 2016 Dec 22.

17.

Functional Characterization of Patients with Chronic Thromboembolic Disease.

Held M, Kolb P, Grün M, Jany B, Hübner G, Grgic A, Holl R, Schaefers HJ, Wilkens H.

Respiration. 2016;91(6):503-9. doi: 10.1159/000447247. Epub 2016 Jun 22.

18.

GPCRdb: the G protein-coupled receptor database - an introduction.

Munk C, Isberg V, Mordalski S, Harpsøe K, Rataj K, Hauser AS, Kolb P, Bojarski AJ, Vriend G, Gloriam DE.

Br J Pharmacol. 2016 Jul;173(14):2195-207. doi: 10.1111/bph.13509. Epub 2016 Jun 3. Review.

19.

GRP78 and CHOP modulate macrophage apoptosis and the development of bleomycin-induced pulmonary fibrosis.

Ayaub EA, Kolb PS, Mohammed-Ali Z, Tat V, Murphy J, Bellaye PS, Shimbori C, Boivin FJ, Lai R, Lynn EG, Lhoták Š, Bridgewater D, Kolb MR, Inman MD, Dickhout JG, Austin RC, Ask K.

J Pathol. 2016 Aug;239(4):411-25. doi: 10.1002/path.4738. Epub 2016 Jun 7.

PMID:
27135434
20.

11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.

Fechner U, de Graaf C, Torda AE, Güssregen S, Evers A, Matter H, Hessler G, Richmond NJ, Schmidtke P, Segler MHS, Waller MP, Pleik S, Shea JE, Levine Z, Mullen R, van den Broek K, Epple M, Kuhn H, Truszkowski A, Zielesny A, Fraaije JH, Gracia RS, Kast SM, Bulusu KC, Bender A, Yosipof A, Nahum O, Senderowitz H, Krotzky T, Schulz R, Wolber G, Bietz S, Rarey M, Zimmermann MO, Lange A, Ruff M, Heidrich J, Onlia I, Exner TE, Boeckler FM, Bermudez M, Firaha DS, Hollóczki O, Kirchner B, Tautermann CS, Volkamer A, Eid S, Turk S, Rippmann F, Fulle S, Saleh N, Saladino G, Gervasio FL, Haensele E, Banting L, Whitley DC, Oliveira Santos JS, Bureau R, Clark T, Sandmann A, Lanig H, Kibies P, Heil J, Hoffgaard F, Frach R, Engel J, Smith S, Basu D, Rauh D, Kohlbacher O, Boeckler FM, Essex JW, Bodnarchuk MS, Ross GA, Finkelmann AR, Göller AH, Schneider G, Husch T, Schütter C, Balducci A, Korth M, Ntie-Kang F, Günther S, Sippl W, Mbaze LM, Ntie-Kang F, Simoben CV, Lifongo LL, Ntie-Kang F, Judson P, Barilla J, Lokajíček MV, Pisaková H, Simr P, Kireeva N, Petrov A, Ostroumov D, Solovev VP, Pervov VS, Friedrich NO, Sommer K, Rarey M, Kirchmair J, Proschak E, Weber J, Moser D, Kalinowski L, Achenbach J, Mackey M, Cheeseright T, Renner G, Renner G, Schmidt TC, Schram J, Egelkraut-Holtus M, van Oeyen A, Kalliokoski T, Fourches D, Ibezim A, Mbah CJ, Adikwu UM, Nwodo NJ, Steudle A, Masek BB, Nagy S, Baker D, Soltanshahi F, Dorfman R, Dubrucq K, Patel H, Koch O, Mrugalla F, Kast SM, Ain QU, Fuchs JE, Owen RM, Omoto K, Torella R, Pryde DC, Glen R, Bender A, Hošek P, Spiwok V, Mervin LH, Barrett I, Firth M, Murray DC, McWilliams L, Cao Q, Engkvist O, Warszycki D, Śmieja M, Bojarski AJ, Aniceto N, Freitas A, Ghafourian T, Herrmann G, Eigner-Pitto V, Naß A, Kurczab R, Bojarski AJ, Lange A, Günther MB, Hennig S, Büttner FM, Schall C, Sievers-Engler A, Ansideri F, Koch P, Stehle T, Laufer S, Böckler FM, Zdrazil B, Montanari F, Ecker GF, Grebner C, Hogner A, Ulander J, Edman K, Guallar V, Tyrchan C, Ulander J, Tyrchan C, Klute W, Bergström F, Kramer C, Nguyen QD, Frach R, Kibies P, Strohfeldt S, Böttcher S, Pongratz T, Horinek D, Kast SM, Rupp B, Al-Yamori R, Lisurek M, Kühne R, Furtado F, van den Broek K, Wessjohann L, Mathea M, Baumann K, Mohamad-Zobir SZ, Fu X, Fan TP, Bender A, Kuhn MA, Sotriffer CA, Zoufir A, Li X, Mervin L, Berg E, Polokoff M, Ihlenfeldt WD, Ihlenfeldt WD, Pretzel J, Alhalabi Z, Fraczkiewicz R, Waldman M, Clark RD, Shaikh N, Garg P, Kos A, Himmler HJ, Sandmann A, Jardin C, Sticht H, Steinbrecher TB, Dahlgren M, Cappel D, Lin T, Wang L, Krilov G, Abel R, Friesner R, Sherman W, Pöhner IA, Panecka J, Wade RC, Bietz S, Schomburg KT, Hilbig M, Rarey M, Jäger C, Wieczorek V, Westerhoff LM, Borbulevych OY, Demuth HU, Buchholz M, Schmidt D, Rickmeyer T, Krotzky T, Kolb P, Mittal S, Sánchez-García E, Nogueira MS, Oliveira TB, da Costa FB, Schmidt TJ.

J Cheminform. 2016 Apr 26;8(Suppl 1):18. doi: 10.1186/s13321-016-0119-5. No abstract available.

21.

Structure-Based Virtual Screening for Dopamine D2 Receptor Ligands as Potential Antipsychotics.

Kaczor AA, Silva AG, Loza MI, Kolb P, Castro M, Poso A.

ChemMedChem. 2016 Apr 5;11(7):718-29. doi: 10.1002/cmdc.201500599. Epub 2016 Mar 18.

PMID:
26990027
22.

Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation.

Unzue A, Lafleur K, Zhao H, Zhou T, Dong J, Kolb P, Liebl J, Zahler S, Caflisch A, Nevado C.

Eur J Med Chem. 2016 Apr 13;112:347-366. doi: 10.1016/j.ejmech.2016.01.057. Epub 2016 Feb 2. Review.

PMID:
26907157
23.

Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry.

Martí-Solano M, Schmidt D, Kolb P, Selent J.

Drug Discov Today. 2016 Apr;21(4):625-31. doi: 10.1016/j.drudis.2016.01.009. Epub 2016 Jan 25. Review.

PMID:
26821135
24.

The quorum-sensing regulator ComA from Bacillus subtilis activates transcription using topologically distinct DNA motifs.

Wolf D, Rippa V, Mobarec JC, Sauer P, Adlung L, Kolb P, Bischofs IB.

Nucleic Acids Res. 2016 Mar 18;44(5):2160-72. doi: 10.1093/nar/gkv1242. Epub 2015 Nov 17.

25.

The mode of agonist binding to a G protein-coupled receptor switches the effect that voltage changes have on signaling.

Rinne A, Mobarec JC, Mahaut-Smith M, Kolb P, Bünemann M.

Sci Signal. 2015 Nov 3;8(401):ra110. doi: 10.1126/scisignal.aac7419.

PMID:
26535008
26.

Whole-Chain Tick Saliva Proteins Presented on Hepatitis B Virus Capsid-Like Particles Induce High-Titered Antibodies with Neutralizing Potential.

Kolb P, Wallich R, Nassal M.

PLoS One. 2015 Sep 9;10(9):e0136180. doi: 10.1371/journal.pone.0136180. eCollection 2015.

27.

SCUBIDOO: A Large yet Screenable and Easily Searchable Database of Computationally Created Chemical Compounds Optimized toward High Likelihood of Synthetic Tractability.

Chevillard F, Kolb P.

J Chem Inf Model. 2015 Sep 28;55(9):1824-35. doi: 10.1021/acs.jcim.5b00203. Epub 2015 Sep 4.

PMID:
26282054
28.

Fragment-based similarity searching with infinite color space.

Gunera J, Kolb P.

J Comput Chem. 2015 Aug 5;36(21):1597-608. doi: 10.1002/jcc.23974. Epub 2015 Jun 29.

PMID:
26119231
29.

The three-legged stool: linkages among education, research, and practice in gerontology and geriatrics. Foreword.

Kolb PJ.

Gerontol Geriatr Educ. 2015;36(3):223-5. doi: 10.1080/02701960.2015.1048854. No abstract available.

PMID:
25965805
30.

Roles for education in development and implementation of evidence-based practices for community programs for older adults.

Kolb P, Conway F.

Gerontol Geriatr Educ. 2015;36(3):226-41. doi: 10.1080/02701960.2015.1031895. Epub 2015 May 7.

PMID:
25950811
31.

The therapeutic effects of 4-phenylbutyric acid in maintaining proteostasis.

Kolb PS, Ayaub EA, Zhou W, Yum V, Dickhout JG, Ask K.

Int J Biochem Cell Biol. 2015 Apr;61:45-52. doi: 10.1016/j.biocel.2015.01.015. Epub 2015 Feb 7. Review.

PMID:
25660369
32.

Soluble cysteine-rich tick saliva proteins Salp15 and Iric-1 from E. coli.

Kolb P, Vorreiter J, Habicht J, Bentrop D, Wallich R, Nassal M.

FEBS Open Bio. 2014 Dec 24;5:42-55. doi: 10.1016/j.fob.2014.12.002. eCollection 2015.

33.

Crystal structure of the human OX2 orexin receptor bound to the insomnia drug suvorexant.

Yin J, Mobarec JC, Kolb P, Rosenbaum DM.

Nature. 2015 Mar 12;519(7542):247-50. doi: 10.1038/nature14035. Epub 2014 Dec 22.

PMID:
25533960
34.

Identifying modulators of CXC receptors 3 and 4 with tailored selectivity using multi-target docking.

Schmidt D, Bernat V, Brox R, Tschammer N, Kolb P.

ACS Chem Biol. 2015 Mar 20;10(3):715-24. doi: 10.1021/cb500577j. Epub 2014 Dec 5.

PMID:
25398025
35.

A symptom-related monitoring program following pulmonary embolism for the early detection of CTEPH: a prospective observational registry study.

Held M, Hesse A, Gött F, Holl R, Hübner G, Kolb P, Langen HJ, Romen T, Walter F, Schäfers HJ, Wilkens H, Jany B.

BMC Pulm Med. 2014 Aug 28;14:141. doi: 10.1186/1471-2466-14-141.

36.

Epidemiology of a large telestroke cohort in the Delaware valley.

Zanaty M, Chalouhi N, Starke RM, Tjoumakaris SI, Gonzalez LF, Deprince M, Singhal SJ, Rosenwasser RH, Kolb P, Jabbour PM.

Clin Neurol Neurosurg. 2014 Oct;125:143-7. doi: 10.1016/j.clineuro.2014.06.006. Epub 2014 Aug 1.

PMID:
25128655
37.

Functional annotation and structural characterization of a novel lactonase hydrolyzing D-xylono-1,4-lactone-5-phosphate and L-arabino-1,4-lactone-5-phosphate.

Korczynska M, Xiang DF, Zhang Z, Xu C, Narindoshvili T, Kamat SS, Williams HJ, Chang SS, Kolb P, Hillerich B, Sauder JM, Burley SK, Almo SC, Swaminathan S, Shoichet BK, Raushel FM.

Biochemistry. 2014 Jul 22;53(28):4727-38. doi: 10.1021/bi500595c. Epub 2014 Jul 9.

38.

Murder or not? Cold temperature makes criminals appear to be cold-blooded and warm temperature to be hot-headed.

Gockel C, Kolb PM, Werth L.

PLoS One. 2014 Apr 30;9(4):e96231. doi: 10.1371/journal.pone.0096231. eCollection 2014.

39.

Impact of interface roughness on the performance of broadband blackbody absorber based on dielectric-metal film multilayers.

Guo SH, Sushkov AB, Park DH, Drew HD, Kolb PW, Herman WN, Phaneuf RJ.

Opt Express. 2014 Jan 27;22(2):1952-62. doi: 10.1364/OE.22.001952.

PMID:
24515204
40.

Structure of active coagulation factor XIII triggered by calcium binding: basis for the design of next-generation anticoagulants.

Stieler M, Weber J, Hils M, Kolb P, Heine A, Büchold C, Pasternack R, Klebe G.

Angew Chem Int Ed Engl. 2013 Nov 4;52(45):11930-4. doi: 10.1002/anie.201305133. Epub 2013 Sep 20. No abstract available.

PMID:
24115223
41.

[Computer-aided design of selective ligands binding to G protein-coupled receptors].

Schmidt D, Kolb P.

Dtsch Med Wochenschr. 2013 Oct;138(44):2260-4. doi: 10.1055/s-0033-1349483. Epub 2013 Sep 24. Review. German. No abstract available.

PMID:
24065450
42.

Structural and functional characterization of a phosphatase domain within yeast general transcription factor IIIC.

Taylor NM, Glatt S, Hennrich ML, von Scheven G, Grötsch H, Fernández-Tornero C, Rybin V, Gavin AC, Kolb P, Müller CW.

J Biol Chem. 2013 May 24;288(21):15110-20. doi: 10.1074/jbc.M112.427856. Epub 2013 Apr 8.

43.

Implementation of Writing Across the Curriculum (WAC) learning approaches in social work and sociology gerontology courses.

Kolb P.

Gerontol Geriatr Educ. 2013;34(2):212-23. doi: 10.1080/02701960.2012.718011. Epub 2013 Feb 5.

PMID:
23383857
44.

Limits of ligand selectivity from docking to models: in silico screening for A(1) adenosine receptor antagonists.

Kolb P, Phan K, Gao ZG, Marko AC, Sali A, Jacobson KA.

PLoS One. 2012;7(11):e49910. doi: 10.1371/journal.pone.0049910. Epub 2012 Nov 21.

45.

The effects of temperature on service employees' customer orientation: an experimental approach.

Kolb P, Gockel C, Werth L.

Ergonomics. 2012;55(6):621-35. doi: 10.1080/00140139.2012.659763. Epub 2012 Mar 29.

PMID:
22455315
46.

Broadband and mid-infrared absorber based on dielectric-thin metal film multilayers.

Corrigan TD, Park DH, Drew HD, Guo SH, Kolb PW, Herman WN, Phaneuf RJ.

Appl Opt. 2012 Mar 10;51(8):1109-14. doi: 10.1364/AO.51.001109.

PMID:
22410990
47.

Structure-based function discovery of an enzyme for the hydrolysis of phosphorylated sugar lactones.

Xiang DF, Kolb P, Fedorov AA, Xu C, Fedorov EV, Narindoshivili T, Williams HJ, Shoichet BK, Almo SC, Raushel FM.

Biochemistry. 2012 Feb 28;51(8):1762-73. doi: 10.1021/bi201838b. Epub 2012 Feb 15.

48.

Suppression of long-range collective effects in meta-surfaces formed by plasmonic antenna pairs.

Mousavi SH, Khanikaev AB, Neuner B 3rd, Fozdar DY, Corrigan TD, Kolb PW, Drew HD, Phaneuf RJ, Alù A, Shvets G.

Opt Express. 2011 Oct 24;19(22):22142-55. doi: 10.1364/OE.19.022142.

PMID:
22109057
49.

The golden age of GPCR structural biology: any impact on drug design?

Kolb P, Klebe G.

Angew Chem Int Ed Engl. 2011 Dec 2;50(49):11573-5. doi: 10.1002/anie.201105869. Epub 2011 Nov 3. No abstract available.

PMID:
22052652
50.

Bianisotropy and spatial dispersion in highly anisotropic near-infrared resonator arrays.

Kolb PW, Corrigan TD, Drew HD, Sushkov AB, Phaneuf RJ, Khanikaev A, Mousavi SH, Shvets G.

Opt Express. 2010 Nov 8;18(23):24025-36. doi: 10.1364/OE.18.024025.

PMID:
21164750

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