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Showing 25 to 36 of 144 entries
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Elucidating the Origin of Conformational Energy Differences in Substituted 1,3-Dioxanes: A Combined Theoretical and Experimental Study.

The Journal of organic chemistry

Cieplak P, Howard AE, Powers JP, Rychnovsky SD, Kollman PA.
PMID: 11667213
J Org Chem. 1996 May 31;61(11):3662-3668. doi: 10.1021/jo951918p.

13C NMR spectroscopy, ab initio quantum mechanics, and molecular mechanics have been used to investigate the trans-4-(trifluoromethyl)-2,2,6-trimethyl-1,3-dioxane chair/twist-boat equilibrium. The molecular mechanics calculations were based upon the MM3 and AMBER force fields. A 6-31G basis set was used for...

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Cieplak P, Howard AE, Powers JP, et al. Elucidating the Origin of Conformational Energy Differences in Substituted 1,3-Dioxanes: A Combined Theoretical and Experimental Study. J Org Chem. 1996;61(11):3662-3668doi: 10.1021/jo951918p.
Cieplak, P., Howard, A. E., Powers, J. P., Rychnovsky, S. D., & Kollman, P. A. (1996). Elucidating the Origin of Conformational Energy Differences in Substituted 1,3-Dioxanes: A Combined Theoretical and Experimental Study. The Journal of organic chemistry, 61(11), 3662-3668. https://doi.org/10.1021/jo951918p
Cieplak, Piotr, et al. "Elucidating the Origin of Conformational Energy Differences in Substituted 1,3-Dioxanes: A Combined Theoretical and Experimental Study." The Journal of organic chemistry vol. 61,11 (1996): 3662-3668. doi: https://doi.org/10.1021/jo951918p
Cieplak P, Howard AE, Powers JP, Rychnovsky SD, Kollman PA. Elucidating the Origin of Conformational Energy Differences in Substituted 1,3-Dioxanes: A Combined Theoretical and Experimental Study. J Org Chem. 1996 May 31;61(11):3662-3668. doi: 10.1021/jo951918p. PMID: 11667213.
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Inductive and Resonance Effects of Substituents on pi-Face Selection.

Chemical reviews

Cieplak AS.
PMID: 11749447
Chem Rev. 1999 May 12;99(5):1265-336. doi: 10.1021/cr980381n.

No abstract available.

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Cieplak AS. Inductive and Resonance Effects of Substituents on pi-Face Selection. Chem Rev. 1999;99(5):1265-336doi: 10.1021/cr980381n.
Cieplak, A. S. (1999). Inductive and Resonance Effects of Substituents on pi-Face Selection. Chemical reviews, 99(5), 1265-336. https://doi.org/10.1021/cr980381n
Cieplak, A S. "Inductive and Resonance Effects of Substituents on pi-Face Selection." Chemical reviews vol. 99,5 (1999): 1265-336. doi: https://doi.org/10.1021/cr980381n
Cieplak AS. Inductive and Resonance Effects of Substituents on pi-Face Selection. Chem Rev. 1999 May 12;99(5):1265-336. doi: 10.1021/cr980381n. PMID: 11749447.
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Motion of grains, droplets, and bubbles in fluid-filled nanopores.

Physical review. E, Statistical, nonlinear, and soft matter physics

Sushko N, Cieplak M.
PMID: 11497597
Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Aug;64(2):021601. doi: 10.1103/PhysRevE.64.021601. Epub 2001 Jul 16.

Molecular dynamics studies of nanometer-sized rigid grains, droplets and bubbles in nanometer-sized pores indicate that the drag force may have a hydrodynamic form if the moving object is dense and small compared to the pore diameter. Otherwise, the behavior...

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Sushko N, Cieplak M. Motion of grains, droplets, and bubbles in fluid-filled nanopores. Phys Rev E Stat Nonlin Soft Matter Phys. 2001;64(2):021601doi: 10.1103/PhysRevE.64.021601.
Sushko, N., & Cieplak, M. (2001). Motion of grains, droplets, and bubbles in fluid-filled nanopores. Physical review. E, Statistical, nonlinear, and soft matter physics, 64(2), 021601. https://doi.org/10.1103/PhysRevE.64.021601
Sushko, N, and Cieplak, M. "Motion of grains, droplets, and bubbles in fluid-filled nanopores." Physical review. E, Statistical, nonlinear, and soft matter physics vol. 64,2 (2001): 021601. doi: https://doi.org/10.1103/PhysRevE.64.021601
Sushko N, Cieplak M. Motion of grains, droplets, and bubbles in fluid-filled nanopores. Phys Rev E Stat Nonlin Soft Matter Phys. 2001 Aug;64(2):021601. doi: 10.1103/PhysRevE.64.021601. Epub 2001 Jul 16. PMID: 11497597.
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Measurements of Dynamic Deformations of Building Structures by Applying Wire Sensors.

Sensors (Basel, Switzerland)

Cieplok G, Bednarski Ł.
PMID: 30634673
Sensors (Basel). 2019 Jan 10;19(2). doi: 10.3390/s19020255.

Measurements of deformations by means of vibrating wire sensors are very important in the monitoring of building structures. These types of sensors are characterized by a high resistance to environmental conditions, long time of measurement stability, and a possibility...

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Cieplok G, Bednarski Ł. Measurements of Dynamic Deformations of Building Structures by Applying Wire Sensors. Sensors (Basel). 2019;19(2)doi: 10.3390/s19020255.
Cieplok, G., & Bednarski, �. �. (2019). Measurements of Dynamic Deformations of Building Structures by Applying Wire Sensors. Sensors (Basel, Switzerland), 19(2), . https://doi.org/10.3390/s19020255
Cieplok, Grzegorz, and Bednarski, Łukasz. "Measurements of Dynamic Deformations of Building Structures by Applying Wire Sensors." Sensors (Basel, Switzerland) vol. 19,2 (2019). doi: https://doi.org/10.3390/s19020255
Cieplok G, Bednarski Ł. Measurements of Dynamic Deformations of Building Structures by Applying Wire Sensors. Sensors (Basel). 2019 Jan 10;19(2). doi: 10.3390/s19020255. PMID: 30634673; PMCID: PMC6359718.
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5-[(4-Eth-oxy-anilino)meth-yl]-N-(2-fluoro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine.

Acta crystallographica. Section E, Structure reports online

Cieplik J, Stolarczyk M, Bryndal I, Lis T.
PMID: 22719517
Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 01;68:o1729-30. doi: 10.1107/S1600536812021046. Epub 2012 May 16.

The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent mol-ecules, denoted A and B. The conformation of each mol-ecule is mainly determined by an intra-molecular N-H⋯N hydrogen bond, which closes a six-membered ring. The dihedral angles...

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Cieplik J, Stolarczyk M, Bryndal I, et al. 5-[(4-Eth-oxy-anilino)meth-yl]-N-(2-fluoro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine. Acta Crystallogr Sect E Struct Rep Online. 2012;68:o1729-30doi: 10.1107/S1600536812021046.
Cieplik, J., Stolarczyk, M., Bryndal, I., & Lis, T. (2012). 5-[(4-Eth-oxy-anilino)meth-yl]-N-(2-fluoro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine. Acta crystallographica. Section E, Structure reports online, 68o1729-30. https://doi.org/10.1107/S1600536812021046
Cieplik, Jerzy, et al. "5-[(4-Eth-oxy-anilino)meth-yl]-N-(2-fluoro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine." Acta crystallographica. Section E, Structure reports online vol. 68 (2012): o1729-30. doi: https://doi.org/10.1107/S1600536812021046
Cieplik J, Stolarczyk M, Bryndal I, Lis T. 5-[(4-Eth-oxy-anilino)meth-yl]-N-(2-fluoro-phen-yl)-6-methyl-2-phenyl-pyrimidin-4-amine. Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 01;68:o1729-30. doi: 10.1107/S1600536812021046. Epub 2012 May 16. PMID: 22719517; PMCID: PMC3379319.
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Novel procedure for thermal equilibration in molecular dynamics simulation.

Molecular simulation

Gallo MT, Grant BJ, Teodoro ML, Melton J, Cieplak P, Phillips GN, Stec B.
PMID: 25125797
Mol Simul. 2009 Apr 01;35(5):349-357. doi: 10.1080/08927020802647272.

We describe a simple novel procedure for achieving thermal equilibration between a protein and a surrounding solvent during molecular dynamics (MD) simulation. The method uniquely defines the length of simulation time required to achieve thermal equilibrium over a broad...

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Gallo MT, Grant BJ, Teodoro ML, et al. Novel procedure for thermal equilibration in molecular dynamics simulation. Mol Simul. 2009;35(5):349-357doi: 10.1080/08927020802647272.
Gallo, M. T., Grant, B. J., Teodoro, M. L., Melton, J., Cieplak, P., Phillips, G. N., & Stec, B. (2009). Novel procedure for thermal equilibration in molecular dynamics simulation. Molecular simulation, 35(5), 349-357. https://doi.org/10.1080/08927020802647272
Gallo, Marco T, et al. "Novel procedure for thermal equilibration in molecular dynamics simulation." Molecular simulation vol. 35,5 (2009): 349-357. doi: https://doi.org/10.1080/08927020802647272
Gallo MT, Grant BJ, Teodoro ML, Melton J, Cieplak P, Phillips GN, Stec B. Novel procedure for thermal equilibration in molecular dynamics simulation. Mol Simul. 2009 Apr 01;35(5):349-357. doi: 10.1080/08927020802647272. PMID: 25125797; PMCID: PMC4128190.
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Stretching and twisting of the DNA duplexes in coarse-grained dynamical models.

Journal of physics. Condensed matter : an Institute of Physics journal

Niewieczerzał S, Cieplak M.
PMID: 21832500
J Phys Condens Matter. 2009 Nov 25;21(47):474221. doi: 10.1088/0953-8984/21/47/474221. Epub 2009 Nov 05.

Three coarse-grained molecular dynamics models of the double-stranded DNA are proposed and compared in the context of single molecule mechanical manipulation such as twisting and various schemes of stretching-unzipping, shearing, two-strand stretching and stretching of only one strand. The...

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Niewieczerzał S, Cieplak M. Stretching and twisting of the DNA duplexes in coarse-grained dynamical models. J Phys Condens Matter. 2009;21(47):474221doi: 10.1088/0953-8984/21/47/474221.
Niewieczerzał, S., & Cieplak, M. (2009). Stretching and twisting of the DNA duplexes in coarse-grained dynamical models. Journal of physics. Condensed matter : an Institute of Physics journal, 21(47), 474221. https://doi.org/10.1088/0953-8984/21/47/474221
Niewieczerzał, Szymon, and Cieplak, Marek. "Stretching and twisting of the DNA duplexes in coarse-grained dynamical models." Journal of physics. Condensed matter : an Institute of Physics journal vol. 21,47 (2009): 474221. doi: https://doi.org/10.1088/0953-8984/21/47/474221
Niewieczerzał S, Cieplak M. Stretching and twisting of the DNA duplexes in coarse-grained dynamical models. J Phys Condens Matter. 2009 Nov 25;21(47):474221. doi: 10.1088/0953-8984/21/47/474221. Epub 2009 Nov 05. PMID: 21832500.
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Polarization effects in molecular mechanical force fields.

Journal of physics. Condensed matter : an Institute of Physics journal

Cieplak P, Dupradeau FY, Duan Y, Wang J.
PMID: 21828594
J Phys Condens Matter. 2009 Aug 19;21(33):333102. doi: 10.1088/0953-8984/21/33/333102. Epub 2009 Jul 24.

The focus here is on incorporating electronic polarization into classical molecular mechanical force fields used for macromolecular simulations. First, we briefly examine currently used molecular mechanical force fields and the current status of intermolecular forces as viewed by quantum...

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Cieplak P, Dupradeau FY, Duan Y, et al. Polarization effects in molecular mechanical force fields. J Phys Condens Matter. 2009;21(33):333102doi: 10.1088/0953-8984/21/33/333102.
Cieplak, P., Dupradeau, F. Y., Duan, Y., & Wang, J. (2009). Polarization effects in molecular mechanical force fields. Journal of physics. Condensed matter : an Institute of Physics journal, 21(33), 333102. https://doi.org/10.1088/0953-8984/21/33/333102
Cieplak, Piotr, et al. "Polarization effects in molecular mechanical force fields." Journal of physics. Condensed matter : an Institute of Physics journal vol. 21,33 (2009): 333102. doi: https://doi.org/10.1088/0953-8984/21/33/333102
Cieplak P, Dupradeau FY, Duan Y, Wang J. Polarization effects in molecular mechanical force fields. J Phys Condens Matter. 2009 Aug 19;21(33):333102. doi: 10.1088/0953-8984/21/33/333102. Epub 2009 Jul 24. PMID: 21828594; PMCID: PMC4020598.
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Rupture and coalescence in two-dimensional cellular automata fluids.

Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Cieplak M.
PMID: 9963148
Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 1995 May;51(5):4353-4361. doi: 10.1103/physreve.51.4353.

No abstract available.

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Cieplak M. Rupture and coalescence in two-dimensional cellular automata fluids. Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 1995;51(5):4353-4361doi: 10.1103/physreve.51.4353.
Cieplak, M. (1995). Rupture and coalescence in two-dimensional cellular automata fluids. Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics, 51(5), 4353-4361. https://doi.org/10.1103/physreve.51.4353
Cieplak. "Rupture and coalescence in two-dimensional cellular automata fluids." Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics vol. 51,5 (1995): 4353-4361. doi: https://doi.org/10.1103/physreve.51.4353
Cieplak M. Rupture and coalescence in two-dimensional cellular automata fluids. Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 1995 May;51(5):4353-4361. doi: 10.1103/physreve.51.4353. PMID: 9963148.
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Origin of the Tc depression and the role of charge transfer and dimensionality in ultrathin YBa2Cu3O7- delta.

Physical review. B, Condensed matter

Cieplak MZ, Giebultowicz T, Guha S, Lindenfeld P, Vadlamannati S.
PMID: 9975456
Phys Rev B Condens Matter. 1994 Nov 01;50(17):12876-12886. doi: 10.1103/physrevb.50.12876.

No abstract available.

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Cieplak MZ, Giebultowicz T, Guha S, et al. Origin of the Tc depression and the role of charge transfer and dimensionality in ultrathin YBa2Cu3O7- delta. Phys Rev B Condens Matter. 1994;50(17):12876-12886doi: 10.1103/physrevb.50.12876.
Cieplak, M. Z., Giebultowicz, T., Guha, S., Lindenfeld, P., & Vadlamannati, S. (1994). Origin of the Tc depression and the role of charge transfer and dimensionality in ultrathin YBa2Cu3O7- delta. Physical review. B, Condensed matter, 50(17), 12876-12886. https://doi.org/10.1103/physrevb.50.12876
Cieplak, et al. "Origin of the Tc depression and the role of charge transfer and dimensionality in ultrathin YBa2Cu3O7- delta." Physical review. B, Condensed matter vol. 50,17 (1994): 12876-12886. doi: https://doi.org/10.1103/physrevb.50.12876
Cieplak MZ, Giebultowicz T, Guha S, Lindenfeld P, Vadlamannati S. Origin of the Tc depression and the role of charge transfer and dimensionality in ultrathin YBa2Cu3O7- delta. Phys Rev B Condens Matter. 1994 Nov 01;50(17):12876-12886. doi: 10.1103/physrevb.50.12876. PMID: 9975456.
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Renormalization-group study of the coupled XY-Ising models.

Physical review. B, Condensed matter

Cieplak M, Li MS.
PMID: 9975762
Phys Rev B Condens Matter. 1994 Jul 01;50(2):955-964. doi: 10.1103/physrevb.50.955.

No abstract available.

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Cieplak M, Li MS. Renormalization-group study of the coupled XY-Ising models. Phys Rev B Condens Matter. 1994;50(2):955-964doi: 10.1103/physrevb.50.955.
Cieplak, M., & Li, M. S. (1994). Renormalization-group study of the coupled XY-Ising models. Physical review. B, Condensed matter, 50(2), 955-964. https://doi.org/10.1103/physrevb.50.955
Cieplak, and Li. "Renormalization-group study of the coupled XY-Ising models." Physical review. B, Condensed matter vol. 50,2 (1994): 955-964. doi: https://doi.org/10.1103/physrevb.50.955
Cieplak M, Li MS. Renormalization-group study of the coupled XY-Ising models. Phys Rev B Condens Matter. 1994 Jul 01;50(2):955-964. doi: 10.1103/physrevb.50.955. PMID: 9975762.
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Spectral dimensionality and hyperscaling.

Physical review. B, Condensed matter

Cieplak M, Majhofer A.
PMID: 9940296
Phys Rev B Condens Matter. 1986 Oct 01;34(7):4892-4893. doi: 10.1103/physrevb.34.4892.

No abstract available.

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Cieplak M, Majhofer A. Spectral dimensionality and hyperscaling. Phys Rev B Condens Matter. 1986;34(7):4892-4893doi: 10.1103/physrevb.34.4892.
Cieplak, M., & Majhofer, A. (1986). Spectral dimensionality and hyperscaling. Physical review. B, Condensed matter, 34(7), 4892-4893. https://doi.org/10.1103/physrevb.34.4892
Cieplak, and Majhofer. "Spectral dimensionality and hyperscaling." Physical review. B, Condensed matter vol. 34,7 (1986): 4892-4893. doi: https://doi.org/10.1103/physrevb.34.4892
Cieplak M, Majhofer A. Spectral dimensionality and hyperscaling. Phys Rev B Condens Matter. 1986 Oct 01;34(7):4892-4893. doi: 10.1103/physrevb.34.4892. PMID: 9940296.
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Showing 25 to 36 of 144 entries