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Items: 1 to 50 of 495

1.

Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences.

Heidari M, Cortes-Huerto R, Potestio R, Kremer K.

J Chem Phys. 2019 Oct 14;151(14):144105. doi: 10.1063/1.5117780.

PMID:
31615249
2.

Backbone Chemical Composition and Monomer Sequence Effects on Phenylene Polymer Persistence Lengths.

Forero-Martinez NC, Baumeier B, Kremer K.

Macromolecules. 2019 Jul 23;52(14):5307-5316. doi: 10.1021/acs.macromol.9b00819. Epub 2019 Jul 9.

3.

Clustering of Entanglement Points in Highly Strained Polymer Melts.

Hsu HP, Kremer K.

Macromolecules. 2019 Sep 10;52(17):6756-6772. doi: 10.1021/acs.macromol.9b01120. Epub 2019 Aug 29.

4.

Discordance in Reporting of Maternal Aggression: Exploring Differences by Characteristics of Children, Mothers, and Their Environments.

Kremer KP, Kondis JS, Kremer TR.

Child Maltreat. 2019 Sep 17:1077559519876033. doi: 10.1177/1077559519876033. [Epub ahead of print]

PMID:
31529997
5.

Dynamic Metabolic Rewiring Enables Efficient Acetyl Coenzyme A Assimilation in Paracoccus denitrificans.

Kremer K, van Teeseling MCF, Schada von Borzyskowski L, Bernhardsgrütter I, van Spanning RJM, Gates AJ, Remus-Emsermann MNP, Thanbichler M, Erb TJ.

MBio. 2019 Jul 9;10(4). pii: e00805-19. doi: 10.1128/mBio.00805-19.

6.

LPA5 Is an Inhibitory Receptor That Suppresses CD8 T-Cell Cytotoxic Function via Disruption of Early TCR Signaling.

Mathew D, Kremer KN, Strauch P, Tigyi G, Pelanda R, Torres RM.

Front Immunol. 2019 May 28;10:1159. doi: 10.3389/fimmu.2019.01159. eCollection 2019.

7.

Using Dental Pulp Stem Cells for Stroke Therapy.

Gancheva MR, Kremer KL, Gronthos S, Koblar SA.

Front Neurol. 2019 Apr 29;10:422. doi: 10.3389/fneur.2019.00422. eCollection 2019. Review.

8.

Erratum: "A coarse-grained polymer model for studying the glass transition" [J. Chem. Phys. 150, 091101 (2019)].

Hsu HP, Kremer K.

J Chem Phys. 2019 Apr 21;150(15):159902. doi: 10.1063/1.5097690. No abstract available.

PMID:
31005118
9.

Prevalence and determinants of persistent symptoms after treatment for Lyme borreliosis: study protocol for an observational, prospective cohort study (LymeProspect).

Vrijmoeth HD, Ursinus J, Harms MG, Zomer TP, Gauw SA, Tulen AD, Kremer K, Sprong H, Knoop H, Vermeeren YM, van Kooten B, Joosten LAB, Kullberg BJ, Hovius JWR, van den Wijngaard CC.

BMC Infect Dis. 2019 Apr 15;19(1):324. doi: 10.1186/s12879-019-3949-8.

10.

CD1b presents self and Borrelia burgdorferi diacylglycerols to human T cells.

Reinink P, Souter MNT, Cheng TY, van Gorkom T, Lenz S, Kubler-Kielb J, Strle K, Kremer K, Thijsen SFT, Steere AC, Godfrey DI, Pellicci DG, Moody DB, Van Rhijn I.

Eur J Immunol. 2019 May;49(5):737-746. doi: 10.1002/eji.201847949. Epub 2019 Mar 20.

11.

A coarse-grained polymer model for studying the glass transition.

Hsu HP, Kremer K.

J Chem Phys. 2019 Mar 7;150(9):091101. doi: 10.1063/1.5089417. Erratum in: J Chem Phys. 2019 Apr 21;150(15):159902.

PMID:
30849869
12.

Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures.

Smrek J, Kremer K, Rosa A.

ACS Macro Lett. 2019 Feb 19;8(2):155-160. doi: 10.1021/acsmacrolett.8b00828. Epub 2019 Jan 22.

13.

Generic Model for Lamellar Self-Assembly in Conjugated Polymers: Linking Mesoscopic Morphology and Charge Transport in P3HT.

Greco C, Melnyk A, Kremer K, Andrienko D, Daoulas KC.

Macromolecules. 2019 Feb 12;52(3):968-981. doi: 10.1021/acs.macromol.8b01863. Epub 2019 Jan 22.

14.

ARHGEF1 deficiency reveals Gα13-associated GPCRs are critical regulators of human lymphocyte function.

Mathew D, Kremer KN, Torres RM.

J Clin Invest. 2019 Mar 1;129(3):965-968. doi: 10.1172/JCI125893. Epub 2019 Feb 4.

15.

Hierarchical modelling of polystyrene melts: from soft blobs to atomistic resolution.

Zhang G, Chazirakis A, Harmandaris VA, Stuehn T, Daoulas KC, Kremer K.

Soft Matter. 2019 Jan 2;15(2):289-302. doi: 10.1039/c8sm01830h.

PMID:
30543257
16.

Studying polymer solutions with particle-based models linked to classical density functionals: co-non-solvency.

Zhang J, Mukherji D, Kremer K, Daoulas KC.

Soft Matter. 2018 Nov 21;14(45):9282-9295. doi: 10.1039/c8sm01358f.

PMID:
30403244
17.

Chain Retraction in Highly Entangled Stretched Polymer Melts.

Hsu HP, Kremer K.

Phys Rev Lett. 2018 Oct 19;121(16):167801. doi: 10.1103/PhysRevLett.121.167801.

PMID:
30387622
18.

Bully victimization and child and adolescent health: new evidence from the 2016 NSCH.

Jackson DB, Vaughn MG, Kremer KP.

Ann Epidemiol. 2019 Jan;29:60-66. doi: 10.1016/j.annepidem.2018.09.004. Epub 2018 Sep 17.

PMID:
30287165
19.

Molluscum-contagiosum-Virus in einer Epidermalzyste.

Müller CSL, Laue M, Kremer K, Becker S, Vogt T, Smola S.

J Dtsch Dermatol Ges. 2018 Sep;16(9):1144-1146. doi: 10.1111/ddg.13633_g. No abstract available.

PMID:
30179331
20.

Presence of molluscum contagiosum virus within an epidermal cyst.

Müller CSL, Laue M, Kremer K, Becker S, Vogt T, Smola S.

J Dtsch Dermatol Ges. 2018 Sep;16(9):1143-1145. doi: 10.1111/ddg.13633. Epub 2018 Aug 21. No abstract available.

PMID:
30130000
21.

GRK2 mediates TCR-induced transactivation of CXCR4 and TCR-CXCR4 complex formation that drives PI3Kγ/PREX1 signaling and T cell cytokine secretion.

Dinkel BA, Kremer KN, Rollins MR, Medlyn MJ, Hedin KE.

J Biol Chem. 2018 Sep 7;293(36):14022-14039. doi: 10.1074/jbc.RA118.003097. Epub 2018 Jul 17.

22.

Immigrant Youth Have Significantly Lower Rates of Externalizing Behavior than Native-Born Americans: Differences by Region of Birth.

Kremer TR, Sutton K, Kremer KP.

J Immigr Minor Health. 2019 Aug;21(4):716-722. doi: 10.1007/s10903-018-0786-6.

PMID:
29987639
23.

Tissue-Nonspecific Alkaline Phosphatase Is Required for MC3T3 Osteoblast-Mediated Protection of Acute Myeloid Leukemia Cells from Apoptosis.

Sterner RM, Kremer KN, Dudakovic A, Westendorf JJ, van Wijnen AJ, Hedin KE.

J Immunol. 2018 Aug 1;201(3):1086-1096. doi: 10.4049/jimmunol.1800174. Epub 2018 Jun 18.

24.

Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids.

Heidari M, Kremer K, Cortes-Huerto R, Potestio R.

J Chem Theory Comput. 2018 Jul 10;14(7):3409-3417. doi: 10.1021/acs.jctc.8b00002. Epub 2018 Jun 20.

PMID:
29874069
25.

LISA Sources in Milky Way Globular Clusters.

Kremer K, Chatterjee S, Breivik K, Rodriguez CL, Larson SL, Rasio FA.

Phys Rev Lett. 2018 May 11;120(19):191103. doi: 10.1103/PhysRevLett.120.191103.

PMID:
29799219
26.

Concurrent coupling of realistic and ideal models of liquids and solids in Hamiltonian adaptive resolution simulations.

Heidari M, Cortes-Huerto R, Kremer K, Potestio R.

Eur Phys J E Soft Matter. 2018 May 23;41(5):64. doi: 10.1140/epje/i2018-11675-x.

PMID:
29785645
27.

Dental Pulp Stem Cells - Exploration in a Novel Animal Model: the Tasmanian Devil (Sarcophilus harrisii).

Graham CM, Kremer KL, Koblar SA, Hamilton-Bruce MA, Pyecroft SB.

Stem Cell Rev Rep. 2018 Aug;14(4):500-509. doi: 10.1007/s12015-018-9814-0. Review.

PMID:
29737458
28.

Engineering Proteins at Interfaces: From Complementary Characterization to Material Surfaces with Designed Functions.

Morsbach S, Gonella G, Mailänder V, Wegner S, Wu S, Weidner T, Berger R, Koynov K, Vollmer D, Encinas N, Kuan SL, Bereau T, Kremer K, Weil T, Bonn M, Butt HJ, Landfester K.

Angew Chem Int Ed Engl. 2018 Sep 24;57(39):12626-12648. doi: 10.1002/anie.201712448. Epub 2018 Aug 30. Review.

29.

Equilibrating high-molecular-weight symmetric and miscible polymer blends with hierarchical back-mapping.

Ohkuma T, Kremer K, Daoulas K.

J Phys Condens Matter. 2018 May 2;30(17):174001. doi: 10.1088/1361-648X/aab684. Epub 2018 Mar 14.

PMID:
29537387
30.

Primitive Path Analysis and Stress Distribution in Highly Strained Macromolecules.

Hsu HP, Kremer K.

ACS Macro Lett. 2018 Jan 16;7(1):107-111. doi: 10.1021/acsmacrolett.7b00808. Epub 2017 Dec 29.

31.

Non-indicated use of prophylactic antibiotics in gynaecological surgery at an academic tertiary medical centre.

Kremer KM, Foster RT, Drobnis EZ, Hyde KJ, Brennaman LM.

J Obstet Gynaecol. 2018 May;38(4):543-547. doi: 10.1080/01443615.2017.1371119. Epub 2018 Feb 6.

PMID:
29405078
32.

An Enzyme-Linked Immunosorbent Spot Assay Measuring Borrelia burgdorferi B31-Specific Interferon Gamma-Secreting T Cells Cannot Discriminate Active Lyme Neuroborreliosis from Past Lyme Borreliosis: a Prospective Study in the Netherlands.

van Gorkom T, Sankatsing SUC, Voet W, Ismail DM, Muilwijk RH, Salomons M, Vlaminckx BJM, Bossink AWJ, Notermans DW, Bouwman JJM, Kremer K, Thijsen SFT.

J Clin Microbiol. 2018 Mar 26;56(4). pii: e01695-17. doi: 10.1128/JCM.01695-17. Print 2018 Apr.

33.

Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes.

Guzman HV, Junghans C, Kremer K, Stuehn T.

Phys Rev E. 2017 Nov;96(5-1):053311. doi: 10.1103/PhysRevE.96.053311. Epub 2017 Nov 27.

PMID:
29347684
34.

From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.

Kreis K, Kremer K, Potestio R, Tuckerman ME.

J Chem Phys. 2017 Dec 28;147(24):244104. doi: 10.1063/1.5000701.

PMID:
29289131
35.

Truancy in the United States: Examining Temporal Trends and Correlates by Race, Age, and Gender.

Maynard BR, Vaughn MG, Nelson EJ, Salas-Wright CP, Heyne DA, Kremer KP.

Child Youth Serv Rev. 2017 Oct;81:188-196. doi: 10.1016/j.childyouth.2017.08.008. Epub 2017 Aug 8.

36.

Histone deacetylase inhibitors reduce differentiating osteoblast-mediated protection of acute myeloid leukemia cells from cytarabine.

Sterner RM, Kremer KN, Al-Kali A, Patnaik MM, Gangat N, Litzow MR, Kaufmann SH, Westendorf JJ, van Wijnen AJ, Hedin KE.

Oncotarget. 2017 Oct 10;8(55):94569-94579. doi: 10.18632/oncotarget.21809. eCollection 2017 Nov 7.

37.

Collapse in two good solvents, swelling in two poor solvents: defying the laws of polymer solubility?

Mukherji D, Marques CM, Kremer K.

J Phys Condens Matter. 2018 Jan 17;30(2):024002. doi: 10.1088/1361-648X/aa9c77.

PMID:
29165325
38.

Breastfeeding Is Associated with Decreased Childhood Maltreatment.

Kremer KP, Kremer TR.

Breastfeed Med. 2018 Jan/Feb;13(1):18-22. doi: 10.1089/bfm.2017.0105. Epub 2017 Nov 10.

PMID:
29125322
39.

Depleted depletion drives polymer swelling in poor solvent mixtures.

Mukherji D, Marques CM, Stuehn T, Kremer K.

Nat Commun. 2017 Nov 9;8(1):1374. doi: 10.1038/s41467-017-01520-5.

40.

Reply to the 'Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol"' by A. Pica and G. Graziano, Soft Matter, 2017, 13, DOI: 10.1039/C7SM01065F.

Mukherji D, Wagner M, Watson MD, Winzen S, de Oliveira TE, Marques CM, Kremer K.

Soft Matter. 2017 Nov 1;13(42):7701-7703. doi: 10.1039/c7sm01880k.

PMID:
29057420
41.

Uterine Clostridium perfringens infection related to gynecologic malignancy.

Kremer KM, McDonald ME, Goodheart MJ.

Gynecol Oncol Rep. 2017 Sep 21;22:55-57. doi: 10.1016/j.gore.2017.09.006. eCollection 2017 Nov.

42.

In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force.

Menichetti R, Kanekal KH, Kremer K, Bereau T.

J Chem Phys. 2017 Sep 28;147(12):125101. doi: 10.1063/1.4987012.

PMID:
28964031
43.

Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales.

Mukherjee B, Peter C, Kremer K.

J Chem Phys. 2017 Sep 21;147(11):114501. doi: 10.1063/1.5001482.

PMID:
28938812
44.

Efficient potential of mean force calculation from multiscale simulations: Solute insertion in a lipid membrane.

Menichetti R, Kremer K, Bereau T.

Biochem Biophys Res Commun. 2018 Mar 29;498(2):282-287. doi: 10.1016/j.bbrc.2017.08.095. Epub 2017 Sep 7.

PMID:
28870809
45.

LytM factors affect the recruitment of autolysins to the cell division site in Caulobacter crescentus.

Zielińska A, Billini M, Möll A, Kremer K, Briegel A, Izquierdo Martinez A, Jensen GJ, Thanbichler M.

Mol Microbiol. 2017 Nov;106(3):419-438. doi: 10.1111/mmi.13775. Epub 2017 Sep 14.

46.

Sequence transferable coarse-grained model of amphiphilic copolymers.

De Silva CC, Leophairatana P, Ohkuma T, Koberstein JT, Kremer K, Mukherji D.

J Chem Phys. 2017 Aug 14;147(6):064904. doi: 10.1063/1.4997638.

PMID:
28810779
47.

Disagreement between the results from three commercial tests for the detection of Borrelia-specific serum antibodies in the Netherlands associated with antibiotic treatment for Lyme borreliosis: a retrospective study.

van Gorkom T, Kremer K, Voet W, Notermans DW, Vlaminckx BJM, Sankatsing SUC, Thijsen SFT.

Eur J Clin Microbiol Infect Dis. 2017 Nov;36(11):2137-2146. doi: 10.1007/s10096-017-3037-1. Epub 2017 Jul 26.

48.

TCR-CXCR4 signaling stabilizes cytokine mRNA transcripts via a PREX1-Rac1 pathway: implications for CTCL.

Kremer KN, Dinkel BA, Sterner RM, Osborne DG, Jevremovic D, Hedin KE.

Blood. 2017 Aug 24;130(8):982-994. doi: 10.1182/blood-2017-03-770982. Epub 2017 Jul 10.

49.

Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues.

Fiorentini R, Kremer K, Potestio R, Fogarty AC.

J Chem Phys. 2017 Jun 28;146(24):244113. doi: 10.1063/1.4989486.

PMID:
28668024
50.

Behavior problems and children's academic achievement: A test of growth-curve models with gender and racial differences.

Kremer KP, Flower A, Huang J, Vaughn MG.

Child Youth Serv Rev. 2016 Aug;67:95-104. doi: 10.1016/j.childyouth.2016.06.003. Epub 2016 Jun 2.

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