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Items: 1 to 20 of 32

1.

Intermolecular interactions in the condensed phase: Evaluation of semi-empirical quantum mechanical methods.

Christensen AS, Kromann JC, Jensen JH, Cui Q.

J Chem Phys. 2017 Oct 28;147(16):161704. doi: 10.1063/1.4985605.

PMID:
29096452
2.

Birth weight and its relation with medical nutrition therapy in gestational diabetes.

Vestgaard M, Christensen AS, Viggers L, Lauszus FF.

Arch Gynecol Obstet. 2017 Jul;296(1):35-41. doi: 10.1007/s00404-017-4396-7. Epub 2017 May 16.

PMID:
28510096
3.

Sunbed use among 64,000 Danish students and the associations with demographic factors, health-related behaviours, and appearance-related factors.

Meyer MKH, Køster B, Juul L, Tolstrup JS, Bendtsen P, Dalum P, Christensen ASP.

Prev Med. 2017 Jul;100:17-24. doi: 10.1016/j.ypmed.2017.03.012. Epub 2017 Mar 20.

4.

The Epital Care Model: A New Person-Centered Model of Technology-Enabled Integrated Care for People With Long Term Conditions.

Phanareth K, Vingtoft S, Christensen AS, Nielsen JS, Svenstrup J, Berntsen GK, Newman SP, Kayser L.

JMIR Res Protoc. 2017 Jan 16;6(1):e6. doi: 10.2196/resprot.6506.

5.

Towards a barrier height benchmark set for biologically relevant systems.

Kromann JC, Christensen AS, Cui Q, Jensen JH.

PeerJ. 2016 May 3;4:e1994. doi: 10.7717/peerj.1994. eCollection 2016.

6.

Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.

Christensen AS, Kubař T, Cui Q, Elstner M.

Chem Rev. 2016 May 11;116(9):5301-37. doi: 10.1021/acs.chemrev.5b00584. Epub 2016 Apr 13. Review.

7.

ProCS15: a DFT-based chemical shift predictor for backbone and Cβ atoms in proteins.

Larsen AS, Bratholm LA, Christensen AS, Channir M, Jensen JH.

PeerJ. 2015 Oct 20;3:e1344. doi: 10.7717/peerj.1344. eCollection 2015.

8.

DFTB3 Parametrization for Copper: The Importance of Orbital Angular Momentum Dependence of Hubbard Parameters.

Gaus M, Jin H, Demapan D, Christensen AS, Goyal P, Elstner M, Cui Q.

J Chem Theory Comput. 2015 Sep 8;11(9):4205-19. doi: 10.1021/acs.jctc.5b00600. Epub 2015 Aug 24.

9.

Improving intermolecular interactions in DFTB3 using extended polarization from chemical-potential equalization.

Christensen AS, Elstner M, Cui Q.

J Chem Phys. 2015 Aug 28;143(8):084123. doi: 10.1063/1.4929335.

10.

Bayesian inference of protein structure from chemical shift data.

Bratholm LA, Christensen AS, Hamelryck T, Jensen JH.

PeerJ. 2015 Mar 24;3:e861. doi: 10.7717/peerj.861. eCollection 2015.

11.

Global patterns of domestic cannabis cultivation: sample characteristics and patterns of growing across eleven countries.

Potter GR, Barratt MJ, Malm A, Bouchard M, Blok T, Christensen AS, Decorte T, Frank VA, Hakkarainen P, Klein A, Lenton S, Perälä J, Werse B, Wouters M.

Int J Drug Policy. 2015 Mar;26(3):226-37. doi: 10.1016/j.drugpo.2014.12.007. Epub 2014 Dec 16.

PMID:
25582281
12.

Long-term mortality in patients with pulmonary and extrapulmonary tuberculosis: a Danish nationwide cohort study.

Christensen AS, Roed C, Andersen PH, Andersen AB, Obel N.

Clin Epidemiol. 2014 Nov 13;6:405-21. doi: 10.2147/CLEP.S65331. eCollection 2014.

13.

A third-generation dispersion and third-generation hydrogen bonding corrected PM6 method: PM6-D3H+.

Kromann JC, Christensen AS, Steinmann C, Korth M, Jensen JH.

PeerJ. 2014 Jun 19;2:e449. doi: 10.7717/peerj.449. eCollection 2014.

14.

FragBuilder: an efficient Python library to setup quantum chemistry calculations on peptides models.

Christensen AS, Hamelryck T, Jensen JH.

PeerJ. 2014 Mar 4;2:e277. doi: 10.7717/peerj.277. eCollection 2014.

15.

Chronic kidney disease in patients with the Philadelphia-negative chronic myeloproliferative neoplasms.

Christensen AS, Møller JB, Hasselbalch HC.

Leuk Res. 2014 Apr;38(4):490-5. doi: 10.1016/j.leukres.2014.01.014. Epub 2014 Feb 4.

PMID:
24630365
16.

Hybrid RHF/MP2 geometry optimizations with the effective fragment molecular orbital method.

Christensen AS, Steinmann C, Fedorov DG, Jensen JH.

PLoS One. 2014 Feb 18;9(2):e88800. doi: 10.1371/journal.pone.0088800. eCollection 2014.

17.

Protein structure validation and refinement using amide proton chemical shifts derived from quantum mechanics.

Christensen AS, Linnet TE, Borg M, Boomsma W, Lindorff-Larsen K, Hamelryck T, Jensen JH.

PLoS One. 2013 Dec 31;8(12):e84123. doi: 10.1371/journal.pone.0084123. eCollection 2013.

18.

Symptoms of sleep disordered breathing and risk of cancer: a prospective cohort study.

Christensen AS, Clark A, Salo P, Nymann P, Lange P, Prescott E, Rod NH.

Sleep. 2013 Oct 1;36(10):1429-35. doi: 10.5665/sleep.3030.

19.

Interface of the polarizable continuum model of solvation with semi-empirical methods in the GAMESS program.

Steinmann C, Blædel KL, Christensen AS, Jensen JH.

PLoS One. 2013 Jul 2;8(7):e67725. doi: 10.1371/journal.pone.0067725. Print 2013.

20.

PHAISTOS: a framework for Markov chain Monte Carlo simulation and inference of protein structure.

Boomsma W, Frellsen J, Harder T, Bottaro S, Johansson KE, Tian P, Stovgaard K, Andreetta C, Olsson S, Valentin JB, Antonov LD, Christensen AS, Borg M, Jensen JH, Lindorff-Larsen K, Ferkinghoff-Borg J, Hamelryck T.

J Comput Chem. 2013 Jul 15;34(19):1697-705. doi: 10.1002/jcc.23292. Epub 2013 Apr 26.

PMID:
23619610

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