Zobrazeno 1 - 10
of 234
pro vyhledávání: '"H.J.C. Berendsen"'
Publikováno v:
Langmuir, 16(19), 7392-7400. AMER CHEMICAL SOC
The potential of molecular dynamics (MD) simulation for the study and prediction of particle/particle and particle/wall interaction in the wide context of technology has been explored. The present study concerns the nature of adsorbed water and its e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0ba889365151c7116b2398901330f8d0
https://hdl.handle.net/11370/847c2100-7a79-4a88-9dd1-e5172291c982
https://hdl.handle.net/11370/847c2100-7a79-4a88-9dd1-e5172291c982
Publikováno v:
Proteins-Structure Function and Genetics, 33(2), 253-264. Wiley
The implementation of cutinase from Fusarium solani pisi as a fat-stain removing ingredient in laundry washing is hampered by its unfolding in the presence of anionic surfactants. In this work we present molecular dynamics (MD) computer simulations o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c1dc10a571325235975a4ac72fe60a07
https://doi.org/10.1002/(sici)1097-0134(19981101)33:2<253::aid-prot9>3.0.co
https://doi.org/10.1002/(sici)1097-0134(19981101)33:2<253::aid-prot9>3.0.co
Publikováno v:
Biochemical Society Transactions. 26:438-443
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::21bc916f16dcc78be25e4f92c5e5e901
https://doi.org/10.1042/bst0260438
https://doi.org/10.1042/bst0260438
Autor:
Steven Hayward, H.J.C. Berendsen
Publikováno v:
Proteins: Structure, Function, and Genetics. 30:144-154
Methods developed originally to analyze domain motions from simulation (Proteins 27:425-437, 1997) are adapted and extended for the analysis of X-ray conformers and for proteins with more than two domains. The method can be applied as an automatic pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a6d3d36ce4d48670a18ab89cabc8fcb0
https://doi.org/10.1002/(sici)1097-0134(19980201)30:2<144::aid-prot4>3.0.co
https://doi.org/10.1002/(sici)1097-0134(19980201)30:2<144::aid-prot4>3.0.co
Publikováno v:
Journal of Chemical Physics, 108(22), 9487-9497. AMER INST PHYSICS
Scopus-Elsevier
Scopus-Elsevier
Molecular dynamics simulations have been carried out for Sr2+ in methanol using different Sr2+ Lennard-Jones parameters and methanol models. X-ray absorption fine structure (EXAFS) spectroscopy has been employed to assess the reliability of the ion-i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8d51240038668984c1e70844b6c8186
https://doi.org/10.1063/1.476398
https://doi.org/10.1063/1.476398
Publikováno v:
Journal of Chemical Physics, 109(8), 3004-3016. AMER INST PHYSICS
In previous articles we derived and tested the quasi-Gaussian entropy theory, a description of the excess Helmholtz free energy in terms of the potential energy distribution, instead of the configurational partition function. We obtained in this way
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc4c4a393cec27ed115d77c52108f7e9
https://doi.org/10.1063/1.476893
https://doi.org/10.1063/1.476893
Autor:
H.J.C. Berendsen, D.P Tieleman
Publikováno v:
Biophysical Journal, 74(6), 2786-2801. CELL PRESS
In this paper we study the properties of pores formed by OmpF porin from Escherichia coli, based on a molecular dynamics simulation of the OmpF trimer, 318 palmitoyl-oleoyl-phosphatidylethanolamine lipids, 27 Na+ ions, and 12,992 water molecules. Aft
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::150b1a72a580ab283dc2054c09901662
https://research.rug.nl/en/publications/c982b3f1-d7f0-4c79-a474-5bfa1d846ea3
https://research.rug.nl/en/publications/c982b3f1-d7f0-4c79-a474-5bfa1d846ea3
Publikováno v:
Molecular Simulation, 14(3), 13-32
A notation is introduced and used to transform a conventional specification of the non-bonded force and virial algorithm in the case of periodic boundary conditions into an alternative specification. The implementation of the transformed specificatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f0d350fc6470b7c0e3fc70e089c2a19e
https://doi.org/10.1080/08927029508022012
https://doi.org/10.1080/08927029508022012
Publikováno v:
Journal of Molecular Graphics & Modelling, 20(3), 219-234
The design of a transmembrane four-helix bundle is described. We start with an idealized four-helix bundle geometry, then use statistical information to build a plausible transmembrane bundle. Appropriate residues are chosen using database knowledge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6552266ce4ccd14b74e5d7ffb4da4844
https://pubmed.ncbi.nlm.nih.gov/11766047
https://pubmed.ncbi.nlm.nih.gov/11766047
Publikováno v:
Biophysical chemistry. 92(1-2)
The application of cutinase from Fusarium solani pisi as a fat-stain removing ingredient in laundry washing is hampered by its lack of stability in the presence of anionic surfactants. We postulate that the stability of cutinase towards anionics can
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e064ff5aee5efb76b6b589307df48ab
https://pubmed.ncbi.nlm.nih.gov/11527580
https://pubmed.ncbi.nlm.nih.gov/11527580