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44 matches in the database. These are records: 1 - 30. New search.

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1. Acceptable Protein and Solvent Behavior in Primary Hydration Shell Simulations of Hen Lysozyme. Hamaneh, Mehdi Bagheri; Buck, Matthias. Biophysical Journal vol. 92 issue 7 April 1, 2007. p. L49-L51

 The “primary hydration shell” method in molecular dynamics simulations uses a two- to… (more)

DOI: 10.1529/biophysj.106.103010. ISSN: 0006-3495.

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2. Importance of the CMAP Correction to the CHARMM22 Protein Force Field: Dynamics of Hen Lysozyme. Buck, Matthias; Bouguet-Bonnet, Sabine; Pastor, Richard W.; MacKerell, Alexander D. Biophysical Journal vol. 90 issue 4 February 15, 2006. p. L36-L38

 The recently developed CMAP correction to the CHARMM22 force field (C22) is evaluated… (more)

DOI: 10.1529/biophysj.105.078154. ISSN: 0006-3495.

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3. A Modified Primary Hydration Shell (PHS) Method Allows Up To Two Orders Of Magnitude Time Saving In Molecular Dynamics Simulations: Application To Large Systems And Lipid Bilayers. Hamaneh, Mehdi Bagheri; Buck, Matthias. Biophysical Journal vol. 96 issue 3 February, 2009. p. 302a-303a

DOI: 10.1016/j.bpj.2008.12.1505. ISSN: 0006-3495.

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4. Interactive rigid body manipulation with obstacle contacts. Buck, Matthias; Schömer, Elmar. The Journal of Visualization and Computer Animation vol. 9 issue 4 October/December 1998. p. 243 - 257

 The interactive manipulation of rigid objects in virtual reality environments requires an object… (more)

Keywords: virtual reality; motion simulation; contact constraints; non-linear complementarity problem; NCP functions; Newton iteration

DOI: 10.1002/(SICI)1099-1778(1998100)9:4<243::AID-VIS189>3.0.CO;2-5. ISSN: 1049-8907.

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5. Tripping a Switch: PDZRhoGEF rgRGS-Bound Gα13. Hamaneh, Mehdi Bagheri; Buck, Matthias. Structure vol. 16 issue 10 October 8, 2008. p. 1439-1441

 Ras superfamily guanine nucleotide-binding proteins, such as G-proteins and small GTPases, are a… (more)

DOI: 10.1016/j.str.2008.09.003. ISSN: 0969-2126.

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6. Insights into Oncogenic Mutations of Plexin-B1 Based on the Solution Structure of the Rho GTPase Binding Domain. Tong, Yufeng; Hota, Prasanta K.; Hamaneh, Mehdi Bagheri; Buck, Matthias. Structure vol. 16 issue 2 February 12, 2008. p. 246-258

 SummaryThe plexin family of transmembrane receptors are important for axon guidance, angiogenesis, but… (more)

Keywords: SIGNALING

DOI: 10.1016/j.str.2007.12.012. ISSN: 0969-2126.

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7. Crystallography. Buck, Matthias. Structure vol. 11 issue 7 July, 2003. p. 735-736

Alcohol cosolvents in conjunction with protein crosslinking can be used to stabilize functionally important structures in a signal transduction molecule.

DOI: 10.1016/S0969-2126(03)00130-8. ISSN: 0969-2126.

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8. When Monomers Are Preferred: A Strategy for the Identification and Disruption of Weakly Oligomerized Proteins. Tong, Yufeng; Hughes, David; Placanica, Lisa; Buck, Matthias. Structure vol. 13 issue 1 January, 2005. p. 7-15

 SummaryOligomerization is important for the structure and function of many proteins, but frequently… (more)

DOI: 10.1016/j.str.2004.10.018. ISSN: 0969-2126.

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9. Conformational Properties of Four Peptides Spanning the Sequence of Hen Lysozyme. Yang, Jenny J.; Buck, Matthias; Pitkeathly, Maureen; Kotik, Michael; Haynie, Donald T.; Dobson, Christopher M.; Radford, Sheena E. Journal of Molecular Biology vol. 252 issue 4 p. 483 - 491

 Four peptides encompassing the entire amino acid sequence of hen lysozyme were examined… (more)

ISSN: 0022-2836.

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10. Acceleration of the folding of hen lysozyme by trifluoroethanol

Edited by R. Fersht

. Lu, Hui; Buck, Matthias; Radford, Sheena E.; Dobson, Christopher M. Journal of Molecular Biology vol. 265 issue 2 January 17, 1997. p. 112-117

 The refolding of a partially structured state of hen lysozyme formed in 60%… (more)

Keywords: rate enhancement; hydrophobic interaction; hydrogen bonding; partially folded states; kinetic traps; TFE; 2,2,2-trifluroethanol; MeU-diNAG; 4-methylumbelliferyl-N,N′-diacetyl-β-chitobiose; ANS; 1-anilino napthalene sulphonate; GuHCl; guanidine hydrochloride

DOI: 10.1006/jmbi.1996.0715. ISSN: 0022-2836.

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11. Main-chain Dynamics of a Partially Folded Protein: 15N NMR Relaxation Measurements of Hen Egg White Lysozyme Denatured in Trifluoroethanol. Buck, Matthias; Schwalbe, Harald; Dobson, Christopher M. Journal of Molecular Biology vol. 257 issue 3 April 5, 1996. p. 669-683

 15N NMR relaxation measurements have been used to study the dynamic behaviour of… (more)

ISSN: 0022-2836.

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12. A Two-State Allosteric Model for Autoinhibition Rationalizes WASP Signal Integration and Targeting. Buck, Matthias; Xu, Wei; Rosen, Michael K. Journal of Molecular Biology vol. 338 issue 2 April 23, 2004. p. 271-285

 Remodeling of the actin cytoskeleton is controlled by signaling pathways that include the… (more)

Keywords: allosteric; signal transduction; cytoskeleton/Cdc42 GTPase; Wiskott–Aldrich; WASP, Wiskott–Aldrich syndrome protein; GBD, GTPase binding domain; VCA, verprolin homology region, central hydrophobic and acidic C-terminal region of WASP; CRIB, motif, Cdc42/Rac interactive binding motif; PAK, p21 activated kinase; Mant, N-methylanthraniloyl; NMR, nuclear magnetic resonance; CD, circular dichroism

DOI: 10.1016/j.jmb.2004.02.036. ISSN: 0022-2836.

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13. Toward a Description of the Conformations of Denatured States of Proteins. Comparison of a Random Coil Model with NMR Measurements. Fiebig, Klaus M.; Schwalbe, Harald; Buck, Matthias; Smith, Lorna J.; Dobson, Christopher M. The Journal of Physical Chemistry vol. 100 issue 7 February 15, 1996. p. 2661-2666

DOI: http://dx.doi.org/10.1021/jp952747v. ISSN: 0022-3654.

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14. Hydrogen Bond Energetics:  A Simulation and Statistical Analysis of N-Methyl Acetamide (NMA), Water, and Human Lysozyme. Buck, Matthias; Karplus, Martin. The Journal of Physical Chemistry B vol. 105 issue 44 November 08, 2001. p. 11000-11015

DOI: http://dx.doi.org/10.1021/jp011042s. ISSN: 1089-5647.

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15. Internal and Overall Peptide Group Motion in Proteins:  Molecular Dynamics Simulations for Lysozyme Compared with Results from X-ray and NMR Spectroscopy. Buck, Matthias; Karplus, Martin. Journal of the American Chemical Society vol. 121 issue 41 October 20, 1999. p. 9645-9658

DOI: http://dx.doi.org/10.1021/ja991309p. ISSN: 0002-7863.

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16. Backbone Dynamics of the Ribonuclease Binase Active Site Area Using Multinuclear (15N and 13CO) NMR Relaxation and Computational Molecular Dynamics. Pang, Yuxi; Buck, Matthias; Zuiderweg, Erik R. P. Biochemistry vol. 41 issue 8 February 26, 2002. p. 2655-2666

DOI: http://dx.doi.org/10.1021/bi011657f. ISSN: 0006-2960.

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17. Global Disruption of the WASP Autoinhibited Structure on Cdc42 Binding. Ligand Displacement as a Novel Method for Monitoring Amide Hydrogen Exchange. Buck, Matthias; Xu, Wei; Rosen, Michael K. Biochemistry vol. 40 issue 47 November 27, 2001. p. 14115-14122

DOI: http://dx.doi.org/10.1021/bi0157215. ISSN: 0006-2960.

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18. A partially folded state of hen egg white lysozyme in trifluoroethanol: structural characterization and implications for protein folding. Buck, Matthias; Radford, Sheena E.; Dobson, Christopher M. Biochemistry vol. 32 issue 2 1993. p. 669-678

DOI: 10.1021/bi00053a036. ISSN: 0006-2960.

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19. Structural Determinants of Protein Dynamics: Analysis of 15N NMR Relaxation Measurements for Main-Chain and Side-Chain Nuclei of Hen Egg White Lysozyme. Buck, Matthias; Boyd, Jonathan; Redfield, Christina; MacKenzie, Donald A.; Jeenes, David J.; Archer, David B.; Dobson, Christopher M. Biochemistry vol. 34 issue 12 1995. p. 4041-4055

DOI: 10.1021/bi00012a023. ISSN: 0006-2960.

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20. Characterization of Conformational Preferences in a Partly Folded Protein by Heteronuclear NMR Spectroscopy: Assignment and Secondary Structure Analysis of Hen Egg-White Lysozyme in Trifluoroethanol. Buck, Matthias; Schwalbe, Harald; Dobson, Christopher M. Biochemistry vol. 34 issue 40 1995. p. 13219-13232

DOI: 10.1021/bi00040a038. ISSN: 0006-2960.

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21. Structural and Dynamical Properties of a Denatured Protein. Heteronuclear 3D NMR Experiments and Theoretical Simulations of Lysozyme in 8 M Urea. Schwalbe, Harald; Fiebig, Klaus M.; Buck, Matthias; Jones, Jonathan A.; Grimshaw, Shaun B.; Spencer, Andrew; Glaser, Steffen J.; Smith, Lorna J.; Dobson, Christopher M. Biochemistry vol. 36 issue 29 July 22, 1997. p. 8977-8991

DOI: http://dx.doi.org/10.1021/bi970049q. ISSN: 0006-2960.

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22. Does forest loss affect the communities of trap-nesting wasps (Hymenoptera: Aculeata) in forests? Landscape vs. local habitat conditions. Taki, Hisatomo; Viana, Blandina F.; Kevan, Peter G.; Silva, Fabiana O.; Buck, Matthias. Journal of Insect Conservation vol. 12 issue 1 February 2008. p. 15 - 21

  We investigated changes in the communities of trap-nesting Hymenoptera in forests in… (more)

Keywords: Carolinian zone; Cavity-nesting; Fragmentation; Habitat loss; Local characteristics

DOI: 10.1007/s10841-006-9058-1. ISSN: 1366-638X.

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23. 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1. Bouguet-Bonnet, Sabine; Buck, Matthias. Journal of Biomolecular NMR vol. 36 issue 1 December 2006. p. 51

Keywords: GMPPNP; GTPase; NMR assignement; Rac1

DOI: 10.1007/s10858-006-9029-6. ISSN: 0925-2738.

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24. 1H, 15N, 13C assignments for the activated form of the small Rho-GTPase Rac1. Bouguet-Bonnet, Sabine; Buck, Matthias. Journal of Biomolecular NMR vol. 36 issue 5 December 2006. p. 51

Keywords: GMPPNP; GTPase; NMR assignement; Rac1

DOI: 10.1007/s10858-006-9029-6. ISSN: 0925-2738.

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25. Letter to the Editor: 1H, 15N and 13C Resonance assignments and secondary structure determination reveal that the minimal Rac1 GTPase bindingdomain of plexin-B1 has a ubiquitin fold. Tong, Yufeng; Buck, Matthias. Journal of Biomolecular NMR vol. 31 issue 4 April 2005. p. 369 - 370

Keywords: axon guidance; Rac1 binding; resonance assignment; secondary structure

DOI: 10.1007/s10858-005-0943-9. ISSN: 0925-2738.

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26. Integrated Computational Approach to the Analysis of NMR Relaxation in Proteins: Application to ps−ns Main Chain 15N−1H and Global Dynamics of the Rho GTPase Binding Domain of Plexin-B1. Zerbetto, Mirco; Buck, Matthias; Meirovitch, Eva; Polimeno, Antonino. The Journal of Physical Chemistry B vol. 115 issue 2 January 20, 2011. p. 376-388

 An integrated computational methodology for interpreting NMR spin relaxation in proteins has been… (more)

DOI: 10.1021/jp108633v. ISSN: 1520-6106.

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27. Integrated Computational Approach to the Analysis of NMR Relaxation in Proteins: Application to ps−ns Main Chain 15N−1H and Global Dynamics of the Rho GTPase Binding Domain of Plexin-B1. Zerbetto, Mirco; Buck, Matthias; Meirovitch, Eva; Polimeno, Antonino. The Journal of Physical Chemistry B [pre-publication article – no volume, issue, or page numbers in this version]

 An integrated computational methodology for interpreting NMR spin relaxation in proteins has been… (more)

DOI: 10.1021/jp108633v. ISSN: 1520-6106.

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28. Thermodynamic characterization of two homologous protein complexes: Associations of the semaphorin receptor plexin-B1 RhoGTPase binding domain with Rnd1 and active Rac1. Hota, Prasanta K.; Buck, Matthias. Protein Science vol. 18 issue 5 May 2009. p. 1060 - 1071

 Plexin receptors function in response to semaphorin guidance cues in a variety of… (more)

Keywords: Rho family small GTPases; plexin-B1; thermodynamics; protein–protein interactions; binding affinity; free energy change; monomer–dimer equilibrium; ITC; NMR

DOI: 10.1002/pro.116. ISSN: 0961-8368.

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29. From rio to johannesburg — a business perspective the 7th international business forum. Buck, Matthias; Helmchen, Constanze J.; Moltke, Konrad von. The International Journal of Life Cycle Assessment vol. 7 issue 5 September 2002. p. 253 - 260

  Conclusions When we take stock of developments in the decade since the… (more)

DOI: 10.1007/BF02978884. ISSN: 0948-3349.

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30. Refinement of the primary hydration shell model for molecular dynamics simulations of large proteins. Hamaneh, Mehdi Bagheri; Buck, Matthias. Journal of Computational Chemistry vol. 30 issue 16 December 2009. p. 2635 - 2644

 A realistic representation of water molecules is important in molecular dynamics simulation of… (more)

Keywords: molecular dynamics simulation; primary hydration shell; protein fluctuations; water; solvent representation

DOI: 10.1002/jcc.21246. ISSN: 0192-8651.

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