Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Lars Meinhold"'
Publikováno v:
Biophysical Journal. 94:4812-4818
The temperature dependence of the dynamics of mesophilic and thermophilic dihydrofolate reductase is examined using elastic incoherent neutron scattering. It is demonstrated that the distribution of atomic displacement amplitudes can be derived from
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5aacc23c213b74cf415edce6a0b2fd5e
https://doi.org/10.1529/biophysj.107.121418
https://doi.org/10.1529/biophysj.107.121418
Publikováno v:
Proceedings of the National Academy of Sciences. 104:17261-17265
Microscopic statistical pressure fluctuations can, in principle, lead to corresponding fluctuations in the shape of a protein energy landscape. To examine this, nanosecond molecular dynamics simulations of lysozyme are performed covering a range of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::896faaec942f5886399561821ed8ba89
https://doi.org/10.1073/pnas.0708199104
https://doi.org/10.1073/pnas.0708199104
Autor:
Jeremy C. Smith, Lars Meinhold
Publikováno v:
Biophysical Journal. 88(4):2554-2563
Understanding collective motions in protein crystals is likely to furnish insight into functional protein dynamics and will improve models for refinement against diffraction data. Here, four 10 ns molecular dynamics simulations of crystalline Staphyl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b3fb62b359b98a9575fc505d8292cf0
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 58:913-922
Understanding the energetic factors determining the positioning and orientation of single-helical peptides in membranes is of fundamental interest in structural biology. Here, a simple 5-slab continuum dielectric model for the membrane is examined th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fb75164a63c0101eac6c266e7156de58
https://doi.org/10.1002/prot.20383
https://doi.org/10.1002/prot.20383
Publikováno v:
Physica B: Condensed Matter. 350:127-131
A fundamental question when comparing molecular dynamics computer simulations of proteins with scattering experiments is how the convergence of the scattered intensity depends on simulation length. Here results are presented of a molecular dynamics s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eabbbb71fb53da53d87cdd3daef24f28
https://doi.org/10.1016/j.physb.2004.04.059
https://doi.org/10.1016/j.physb.2004.04.059
Unfolding and Melting of DNA (RNA) Hairpins: The Concept of Structure-Specific 2D Dynamic Landscapes
A 2D free energy landscape model is presented to describe the (un)folding transition of DNA/RNA hairpins, together with molecular dynamics simulations and experimental findings. The dependence of the (un)folding transition on the stem sequence and th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c10a6383a9e43960dc1ec2476e5decc1
https://europepmc.org/articles/PMC2548322/
https://europepmc.org/articles/PMC2548322/
Publikováno v:
Physical review letters. 99(13)
All-atom lattice-dynamical calculations are reported for a crystalline protein, ribonuclease A. The sound velocities, density of states, heat capacity (C{sub V}) and thermal diffuse scattering are all consistent with available experimental data. C{su
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cc71416d1a67344cc5eced6773d44aaf
https://pubmed.ncbi.nlm.nih.gov/17930640
https://pubmed.ncbi.nlm.nih.gov/17930640
Autor:
Lars Meinhold
Publikováno v:
Optical Terahertz Science and Technology.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::29cb72d34045f8e020ef06e473efaf40
https://doi.org/10.1364/otst.2007.mb6
https://doi.org/10.1364/otst.2007.mb6
Autor:
Lars Meinhold, Jeremy C. Smith
Publikováno v:
Proteins. 66(4)
Understanding X-ray crystallographic diffuse scattering is likely to improve our comprehension of equilibrium collective protein dynamics. Here, using molecular dynamics (MD) simulation, a detailed analysis is performed of the origins of diffuse scat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2af683168dad6cf80b9515d13c2b8783
https://pubmed.ncbi.nlm.nih.gov/17154425
https://pubmed.ncbi.nlm.nih.gov/17154425
Autor:
Jeremy C. Smith, Lars Meinhold
Publikováno v:
Physical Review E. 72
Molecular dynamics simulations of a crystalline protein, Staphylococcal nuclease, over the pressure range $1\phantom{\rule{0.3em}{0ex}}\text{bar}\phantom{\rule{0.3em}{0ex}}\text{to}\phantom{\rule{0.3em}{0ex}}15\phantom{\rule{0.3em}{0ex}}\mathrm{kbar}
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ea214ab7b8f0e1acf3d8948e1811ab0
https://doi.org/10.1103/physreve.72.061908
https://doi.org/10.1103/physreve.72.061908