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A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ Domain.

Frontiers in molecular biosciences

Panel N, Sun YJ, Fuentes EJ, Simonson T.
PMID: 29018806
Front Mol Biosci. 2017 Sep 26;4:65. doi: 10.3389/fmolb.2017.00065. eCollection 2017.

PDZ domains generally bind short amino acid sequences at the C-terminus of target proteins, and short peptides can be used as inhibitors or model ligands. Here, we used experimental binding assays and molecular dynamics simulations to characterize 51 complexes...

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Panel N, Sun YJ, Fuentes EJ, et al. A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ Domain. Front Mol Biosci. 2017;4:65doi: 10.3389/fmolb.2017.00065.
Panel, N., Sun, Y. J., Fuentes, E. J., & Simonson, T. (2017). A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ Domain. Frontiers in molecular biosciences, 465. https://doi.org/10.3389/fmolb.2017.00065
Panel, Nicolas, et al. "A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ Domain." Frontiers in molecular biosciences vol. 4 (2017): 65. doi: https://doi.org/10.3389/fmolb.2017.00065
Panel N, Sun YJ, Fuentes EJ, Simonson T. A Simple PB/LIE Free Energy Function Accurately Predicts the Peptide Binding Specificity of the Tiam1 PDZ Domain. Front Mol Biosci. 2017 Sep 26;4:65. doi: 10.3389/fmolb.2017.00065. eCollection 2017. PMID: 29018806; PMCID: PMC5623046.
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An Overview of Electrostatic Free Energy Computations for Solutions and Proteins.

Journal of chemical theory and computation

Lin YL, Aleksandrov A, Simonson T, Roux B.
PMID: 26586504
J Chem Theory Comput. 2014 Jul 08;10(7):2690-709. doi: 10.1021/ct500195p. Epub 2014 Jun 05.

Free energy simulations for electrostatic and charging processes in complex molecular systems encounter specific difficulties owing to the long-range, 1/r Coulomb interaction. To calculate the solvation free energy of a simple ion, it is essential to take into account...

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Lin YL, Aleksandrov A, Simonson T, et al. An Overview of Electrostatic Free Energy Computations for Solutions and Proteins. J Chem Theory Comput. 2014;10(7):2690-709doi: 10.1021/ct500195p.
Lin, Y. L., Aleksandrov, A., Simonson, T., & Roux, B. (2014). An Overview of Electrostatic Free Energy Computations for Solutions and Proteins. Journal of chemical theory and computation, 10(7), 2690-709. https://doi.org/10.1021/ct500195p
Lin, Yen-Lin, et al. "An Overview of Electrostatic Free Energy Computations for Solutions and Proteins." Journal of chemical theory and computation vol. 10,7 (2014): 2690-709. doi: https://doi.org/10.1021/ct500195p
Lin YL, Aleksandrov A, Simonson T, Roux B. An Overview of Electrostatic Free Energy Computations for Solutions and Proteins. J Chem Theory Comput. 2014 Jul 08;10(7):2690-709. doi: 10.1021/ct500195p. Epub 2014 Jun 05. PMID: 26586504.
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A new electrocardiographic limb electrode.

American heart journal

SIMONSON E.
PMID: 14877738
Am Heart J. 1951 Sep;42(3):445-6. doi: 10.1016/0002-8703(51)90139-1.

No abstract available.

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SIMONSON E. A new electrocardiographic limb electrode. Am Heart J. 1951;42(3):445-6doi: 10.1016/0002-8703(51)90139-1.
SIMONSON, E. (1951). A new electrocardiographic limb electrode. American heart journal, 42(3), 445-6. https://doi.org/10.1016/0002-8703(51)90139-1
SIMONSON, E. "A new electrocardiographic limb electrode." American heart journal vol. 42,3 (1951): 445-6. doi: https://doi.org/10.1016/0002-8703(51)90139-1
SIMONSON E. A new electrocardiographic limb electrode. Am Heart J. 1951 Sep;42(3):445-6. doi: 10.1016/0002-8703(51)90139-1. PMID: 14877738.
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Challenges for IT-supported shared care: a qualitative analyses of two shared care initiatives for diabetes treatment in Denmark "I'll never use it" (GP5).

International journal of integrated care

Granlien MF, Simonsen J.
PMID: 17627300
Int J Integr Care. 2007 May 30;7:e19. doi: 10.5334/ijic.187.

PURPOSE: To investigate the circumstances as to why it is so difficult in the primary care sector to implement IT based infrastructures supporting shared care.CASE STUDY: The qualitative analysis includes two separate case studies of IT-supported shared care implemented...

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Granlien MF, Simonsen J. Challenges for IT-supported shared care: a qualitative analyses of two shared care initiatives for diabetes treatment in Denmark "I'll never use it" (GP5). Int J Integr Care. 2007;7:e19doi: 10.5334/ijic.187.
Granlien, M. F., & Simonsen, J. (2007). Challenges for IT-supported shared care: a qualitative analyses of two shared care initiatives for diabetes treatment in Denmark "I'll never use it" (GP5). International journal of integrated care, 7e19. https://doi.org/10.5334/ijic.187
Granlien, Maren Fich, and Simonsen, Jesper. "Challenges for IT-supported shared care: a qualitative analyses of two shared care initiatives for diabetes treatment in Denmark "I'll never use it" (GP5)." International journal of integrated care vol. 7 (2007): e19. doi: https://doi.org/10.5334/ijic.187
Granlien MF, Simonsen J. Challenges for IT-supported shared care: a qualitative analyses of two shared care initiatives for diabetes treatment in Denmark "I'll never use it" (GP5). Int J Integr Care. 2007 May 30;7:e19. doi: 10.5334/ijic.187. PMID: 17627300; PMCID: PMC1894682.
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Ion association in aqueous LiCl solutions at high concentration: predicted results via molecular simulation.

The Journal of chemical physics

Chialvo AA, Simonson JM.
PMID: 16674244
J Chem Phys. 2006 Apr 21;124(15):154509. doi: 10.1063/1.2186641.

We perform molecular dynamics simulations to study the ionic solvation and association behavior in concentrated aqueous LiCl solutions at ambient conditions, including consideration of expected signatures of ion pairing that might be found in neutron diffraction experiments with isotopic...

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Chialvo AA, Simonson JM. Ion association in aqueous LiCl solutions at high concentration: predicted results via molecular simulation. J Chem Phys. 2006;124(15):154509doi: 10.1063/1.2186641.
Chialvo, A. A., & Simonson, J. M. (2006). Ion association in aqueous LiCl solutions at high concentration: predicted results via molecular simulation. The Journal of chemical physics, 124(15), 154509. https://doi.org/10.1063/1.2186641
Chialvo, Ariel A, and Simonson, J Michael. "Ion association in aqueous LiCl solutions at high concentration: predicted results via molecular simulation." The Journal of chemical physics vol. 124,15 (2006): 154509. doi: https://doi.org/10.1063/1.2186641
Chialvo AA, Simonson JM. Ion association in aqueous LiCl solutions at high concentration: predicted results via molecular simulation. J Chem Phys. 2006 Apr 21;124(15):154509. doi: 10.1063/1.2186641. PMID: 16674244.
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Implicit solvent models.

Biophysical chemistry

Roux B, Simonson T.
PMID: 17030302
Biophys Chem. 1999 Apr 05;78(1):1-20. doi: 10.1016/s0301-4622(98)00226-9.

Implicit solvent models for biomolecular simulations are reviewed and their underlying statistical mechanical basis is discussed. The fundamental quantity that implicit models seek to approximate is the solute potential of mean force, which determines the statistical weight of solute...

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Roux B, Simonson T. Implicit solvent models. Biophys Chem. 1999;78(1):1-20doi: 10.1016/s0301-4622(98)00226-9.
Roux, B., & Simonson, T. (1999). Implicit solvent models. Biophysical chemistry, 78(1), 1-20. https://doi.org/10.1016/s0301-4622(98)00226-9
Roux, B, and Simonson, T. "Implicit solvent models." Biophysical chemistry vol. 78,1 (1999): 1-20. doi: https://doi.org/10.1016/s0301-4622(98)00226-9
Roux B, Simonson T. Implicit solvent models. Biophys Chem. 1999 Apr 05;78(1):1-20. doi: 10.1016/s0301-4622(98)00226-9. PMID: 17030302.
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[Risk of hospitalisation due to foodborne bacterial gastroenteritis--secondary publication].

Ugeskrift for laeger

Helms MN, Simonsen J, Mølbak K.
PMID: 17355849
Ugeskr Laeger. 2007 Feb 26;169(9):820-3.

In a matched cohort study we estimate the risk of hospitalisation due to gastroenteritis, complications and sequelae after infections with zoonotic Salmonella, Campylobacter spp., Yersinia enterocolitica, E. coli and Shigella infections. Out of 52,783 patients, 7,524 (14.4%) were hospitalized...

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Helms MN, Simonsen J, Mølbak K. Indlaeggelsesrisiko efter fødevarebårne bakterielle mave-tarm-infektioner. [Risk of hospitalisation due to foodborne bacterial gastroenteritis--secondary publication]. Ugeskr Laeger. 2007;169(9):820-3
Helms, M. N., Simonsen, J., & Mølbak, K. (2007). Indlaeggelsesrisiko efter fødevarebårne bakterielle mave-tarm-infektioner. [Risk of hospitalisation due to foodborne bacterial gastroenteritis--secondary publication]. Ugeskrift for laeger, 169(9), 820-3.
Helms, Morten N, et al. "Indlaeggelsesrisiko efter fødevarebårne bakterielle mave-tarm-infektioner." [Risk of hospitalisation due to foodborne bacterial gastroenteritis--secondary publication]. Ugeskrift for laeger vol. 169,9 (2007): 820-3.
Helms MN, Simonsen J, Mølbak K. Indlaeggelsesrisiko efter fødevarebårne bakterielle mave-tarm-infektioner. [Risk of hospitalisation due to foodborne bacterial gastroenteritis--secondary publication]. Ugeskr Laeger. 2007 Feb 26;169(9):820-3. Danish. PMID: 17355849.
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Variability of the electrocardiogram in normal young men.

American heart journal

SIMONSON E, BROZEK J, KEYS A.
PMID: 18135736
Am Heart J. 1949 Sep;38(3):407-22. doi: 10.1016/0002-8703(49)90852-2.

No abstract available.

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SIMONSON E, BROZEK J, KEYS A. Variability of the electrocardiogram in normal young men. Am Heart J. 1949;38(3):407-22doi: 10.1016/0002-8703(49)90852-2.
SIMONSON, E., BROZEK, J., & KEYS, A. (1949). Variability of the electrocardiogram in normal young men. American heart journal, 38(3), 407-22. https://doi.org/10.1016/0002-8703(49)90852-2
SIMONSON, E, et al. "Variability of the electrocardiogram in normal young men." American heart journal vol. 38,3 (1949): 407-22. doi: https://doi.org/10.1016/0002-8703(49)90852-2
SIMONSON E, BROZEK J, KEYS A. Variability of the electrocardiogram in normal young men. Am Heart J. 1949 Sep;38(3):407-22. doi: 10.1016/0002-8703(49)90852-2. PMID: 18135736.
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Electron-beam-fabricated asymmetric transmission gratings for microspectroscopy.

Applied optics

Laakkonen P, Kuittinen M, Simonen J, Turunen J.
PMID: 18349882
Appl Opt. 2000 Jul 01;39(19):3187-91. doi: 10.1364/ao.39.003187.

Asymmetric transmission gratings operating in the resonance domain are designed by modeling of the dose-controlled electron-beam lithography process with Gaussian convolution. We aim to exceed some efficiency limit eta(s) over a specified spectral range and to maximize eta(s). The...

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Laakkonen P, Kuittinen M, Simonen J, et al. Electron-beam-fabricated asymmetric transmission gratings for microspectroscopy. Appl Opt. 2000;39(19):3187-91doi: 10.1364/ao.39.003187.
Laakkonen, P., Kuittinen, M., Simonen, J., & Turunen, J. (2000). Electron-beam-fabricated asymmetric transmission gratings for microspectroscopy. Applied optics, 39(19), 3187-91. https://doi.org/10.1364/ao.39.003187
Laakkonen, P, et al. "Electron-beam-fabricated asymmetric transmission gratings for microspectroscopy." Applied optics vol. 39,19 (2000): 3187-91. doi: https://doi.org/10.1364/ao.39.003187
Laakkonen P, Kuittinen M, Simonen J, Turunen J. Electron-beam-fabricated asymmetric transmission gratings for microspectroscopy. Appl Opt. 2000 Jul 01;39(19):3187-91. doi: 10.1364/ao.39.003187. PMID: 18349882.
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Antiplatelet therapy for secondary prevention of the complications of atherothrombotic disease.

The Consultant pharmacist : the journal of the American Society of Consultant Pharmacists

Simonson W, Beizer JL.
PMID: 16553498
Consult Pharm. 2004 Sep;19(9):813-23. doi: 10.4140/tcp.n.2004.813.

OBJECTIVE: To review and summarize key studies of secondary prevention of atherothrombotic events.DATA SOURCES: English language clinical trials and guidelines.STUDY SELECTION: Key clinical trials and guidelines were selected by the authors based on their perceived importance and relevance to...

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Simonson W, Beizer JL. Antiplatelet therapy for secondary prevention of the complications of atherothrombotic disease. Consult Pharm. 2004;19(9):813-23doi: 10.4140/tcp.n.2004.813.
Simonson, W., & Beizer, J. L. (2004). Antiplatelet therapy for secondary prevention of the complications of atherothrombotic disease. The Consultant pharmacist : the journal of the American Society of Consultant Pharmacists, 19(9), 813-23. https://doi.org/10.4140/tcp.n.2004.813
Simonson, William, and Beizer, Judith L. "Antiplatelet therapy for secondary prevention of the complications of atherothrombotic disease." The Consultant pharmacist : the journal of the American Society of Consultant Pharmacists vol. 19,9 (2004): 813-23. doi: https://doi.org/10.4140/tcp.n.2004.813
Simonson W, Beizer JL. Antiplatelet therapy for secondary prevention of the complications of atherothrombotic disease. Consult Pharm. 2004 Sep;19(9):813-23. doi: 10.4140/tcp.n.2004.813. PMID: 16553498.
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Tip-enhanced Raman scattering from bridged nanocones.

Optics express

Rao S, Huttunen MJ, Kontio JM, Makitalo J, Viljanen MR, Simonen J, Kauranen M, Petrov D.
PMID: 21164723
Opt Express. 2010 Nov 08;18(23):23790-5. doi: 10.1364/OE.18.023790.

We present two silver nanocones separated by 450 nm, well beyond the typical gap spacing of coupled nanoantennas, and connected by a metal bridge to facilitate plasmonic coupling between them. The tip-enhanced Raman scattering from crystal violet molecules is...

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Rao S, Huttunen MJ, Kontio JM, et al. Tip-enhanced Raman scattering from bridged nanocones. Opt Express. 2010;18(23):23790-5doi: 10.1364/OE.18.023790.
Rao, S., Huttunen, M. J., Kontio, J. M., Makitalo, J., Viljanen, M. R., Simonen, J., Kauranen, M., & Petrov, D. (2010). Tip-enhanced Raman scattering from bridged nanocones. Optics express, 18(23), 23790-5. https://doi.org/10.1364/OE.18.023790
Rao, Satish, et al. "Tip-enhanced Raman scattering from bridged nanocones." Optics express vol. 18,23 (2010): 23790-5. doi: https://doi.org/10.1364/OE.18.023790
Rao S, Huttunen MJ, Kontio JM, Makitalo J, Viljanen MR, Simonen J, Kauranen M, Petrov D. Tip-enhanced Raman scattering from bridged nanocones. Opt Express. 2010 Nov 08;18(23):23790-5. doi: 10.1364/OE.18.023790. PMID: 21164723.
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AN UNUSUAL CASE OF A-V NODAL RHYTHM WITH VARYING A-V BLOCK.

British heart journal

Simonson E, Enzer N.
PMID: 18609988
Br Heart J. 1945 Jan;7(1):45-8. doi: 10.1136/hrt.7.1.45.

No abstract available.

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Simonson E, Enzer N. AN UNUSUAL CASE OF A-V NODAL RHYTHM WITH VARYING A-V BLOCK. Br Heart J. 1945;7(1):45-8doi: 10.1136/hrt.7.1.45.
Simonson, E., & Enzer, N. (1945). AN UNUSUAL CASE OF A-V NODAL RHYTHM WITH VARYING A-V BLOCK. British heart journal, 7(1), 45-8. https://doi.org/10.1136/hrt.7.1.45
Simonson, E, and Enzer, N. "AN UNUSUAL CASE OF A-V NODAL RHYTHM WITH VARYING A-V BLOCK." British heart journal vol. 7,1 (1945): 45-8. doi: https://doi.org/10.1136/hrt.7.1.45
Simonson E, Enzer N. AN UNUSUAL CASE OF A-V NODAL RHYTHM WITH VARYING A-V BLOCK. Br Heart J. 1945 Jan;7(1):45-8. doi: 10.1136/hrt.7.1.45. PMID: 18609988; PMCID: PMC503536.
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Showing 1 to 12 of 188 entries