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2010


This is a list of the most recent publications. Where available a link to the abstract or article is present. For reprints please contact our secretary.

MD10.01

H.J.C. Berendsen                                                            

Concluding Remarks

Faraday Discuss. 144 (2010) 467-481

article [PDF]

MD10.02

Frans A. A. Mulder, Michael Filatov
NMR chemical shift data and ab initio shielding calculations: emerging tools for protein structure determination

Chem. Soc. Rev. 39 (2010) (2) 578 - 590

article [PDF]

abstract [PDF]

MD10.03

Siewert J. Marrink, Xavier Periole, D. Peter Tieleman, Alex H. de Vries

Comment on using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models

Phys. Chem. Chem. Phys. 12 (2010) 2254-2256

article [PDF]

abstract [PDF]

MD10.04 XX
MD10.05 D. Flemming Hansen, Philipp Neudecker, Pramodh Vallurupalli, Frans A. A. Mulder and Lewis E. Kay
Determination of Leu Side-Chain Conformations in Excited Protein States by NMR Relaxation Dispersion
J. Am. Chem. Soc. 132 (2010) (1) 42-43

article [PDF]

abstract [PDF]

MD10.06 Renee Otten, Byron Chu, Karla D. Krewulak, Hans J. Vogel & Frans A.A. Mulder
Comprehensive and cost-effective NMR spectroscopy of methyl groups in large proteins
J. Am. Chem. Soc. 132 (9) (2010) 2952-2960

article [PDF]

supporting [PDF]

abstract [PDF]

MD10.07 M. Fuhrmans, B.P. Sanders, S.J. Marrink, A.H. de Vries
Effects of bundling on the properties of the SPC water model
Theor. Chem. Accounts 125 (2010) 335-344
Open access article
MD10.08 S. Baoukina, S.J. Marrink, D.P. Tieleman
Lateral pressure profiles in lipid monolayers
Farad. Discuss. 144 (2010) 393-409

article [PDF]

abstract [PDF]

MD10.09

T. Apajalahti, P. Niemela, P.N. Govindan, M. Miettinen, E. Salonen, S.J. Marrink, I. Vattulainen

Concerted diffusion of lipids in raft-like membranes
Farad. Discuss. 144 (2010) 411-430

article [PDF]

abstract [PDF]

MD10.10 A. Rzepiela, D. Sengupta, N. Goga, S.J. Marrink
Membrane poration by antimicrobial peptides combining atomistic and coarse grained descriptions
Farad. Discuss. 144 (2010) 431-443

article [PDF]

abstract [PDF]

MD10.11

Andrzej J. Rzepiela, Lars V. Schäfer, Nicolae Goga, H. Jelger Risselada, Alex H. de Vries and Siewert J. Marrink
Reconstruction of atomistic details from coarse grained structures
Journal of Computational Chemistry 31 (2010) 1333-1343

article [PDF]

abstract [PDF]

MD10.12

Kathleen Wood, Douglas J. Tobias, Brigitte Kessler, Frank Gabel, Dieter Oesterhelt, Frans A. A. Mulder, Giuseppe Zaccai and Martin Weik

The Low-Temperature Inflection Observed in Neutron Scattering Measurements of Proteins Is Due to Methyl Rotation: Direct Evidence Using Isotope Labeling and Molecular Dynamics Simulations

J. Am. Chem. Soc.132 (2010) (14) 4990-5001

article [PDF]

abstract

MD10.13 J.A. Lycklama a Nijeholt, M. Bulacu, S.J. Marrink, A.J.M. Driessen
Immobilization of the plug domain inside the SecY channel allows unrestricted protein translocation
J. Biol. Chem. (2010) 23747-23754

article [PDF]

abstract

MD10.14 S. Yesylevskyy, L.V. Schafer, D. Sengupta, S.J. Marrink
Polarizable water model for the coarse-grained Martini force field
PLoS Comp. Biol 6 (2010) e1000810

Open access article

MD10.15

Y.G. Smirnova, S.J. Marrink, R. Lipowsky, V. Knecht
Solvent-exposed tails as pre-stalk transition states for membrane fusion
JACS 132 (2010) 6710-6718

article [PDF]

abstract [PDF]

MD10.16 Frans A.A. Mulder, Martin Lundqvist and Ruud Scheek
Nuclear Magnetic Resonance Spectroscopy Applied to (Intrinsically) Disordered Proteins
in "Instrumental Analysis of Intrinsically Disordered Proteins: Assessing Structure and Conformation"
V. Uversky and S. Longhi (Eds.) John Wiley and Sons Ltd, New Jersey (2010)
# ISBN-10: 0470343419
# ISBN-13: 978-0470343418
chapter [PDF]
MD10.17 S. Ramadurai, A. Holt, L.V. Schäfer, V.V. Krasnikov, D.T.S. Rijkers, S.J. Marrink, J.A. Killian, B. Poolman
Influence of hydrophobic mismatch and amino acid composition on the lateral diffusion of transmembrane peptides
Biophys. J. 99 (2010) 1447-1454

article [PDF]

abstract [PDF]

MD10.18 A.A Polyansky, R. Ramaswarny, P.E. Volynsky, I.F. Sbalzarini, S.J. Marrink, R.G. Efremov
Antimicrobial peptides induce growth of phosphatidylglycerol domains in a model bacterial membrane
J. Phys.Chem.Letters 1 (2010) 3108-3111

article [PDF] 

MD10.19

T. Vuorela, A. Catte, P.S. Niemela, A. Hall, M.T. Hyvonen, S.J. Marrink, M. Karttunen, I. Vattulainen
Role of lipids in spheroidal high density lipoproteins
PloS Comp. Biol. 6 (2010) e 31000964

Open access article
MD10.20 N. Kucerka, D. Marquardt, T.A. Harroun, M.P. Nieh, S.R. Wassall, D.H. de Jong, L.V. Schäfer, S.J. Marrink, J. Katsaras.
Cholesterol in bilayers with PUFA chains: Doping with DMPC or POPC results in sterol reorientation and membrane-domain formation
Biochemistry 49 (2010) 7485-7493

article [PDF]

abstract [PDF]

MD10.21 D. Sengupta, S.J. Marrink
Lipid mediated interactions tune the association of glycophorin A and its disruptive mutants in membranes
Phys. Chem. Chem. Phys. 12 (2010) 12987-12996

article  [PDF]

abstract [PDF]

MD10.22

Renee Otten, Janice Villali, Dorothee Kern and Frans A. A. Mulder

Probing Microsecond Time Scale Dynamics in Proteins by Methyl 1H Carr−Purcell−Meiboom−Gill Relaxation Dispersion NMR Measurements. Application to Activation of the Signaling Protein NtrCr.
J. Am. Chem. Soc. 132 (47) (2010) 17004 - 17014

Open access article [PDF]
MD10.23

Martti Louhivuori, H. Jelger Risselada, Erik van der Giessen and Siewert Jan Marrink

Release of content through mechano-sensitive gates in pressurized liposomes

PNAS 107 (2010) 19856 - 19860

Open access article
MD10.24 XX
MD10.25

L.V. Schafer, S.J. Marrink
Partitioning of lipids at domain boundaries in model membranes
Biophys. J. 99 (2010) L91-L93

Open access article
MD10.26 B. Horta, A.H. de Vries, P.H. Hunenberger
Simulating the gel to liquid crystal phase transition of lipid bilayers: dependence of the transition temperature on the hydration level

J. Chem. Theory Comput. 6 (2010) 2488–2500

article/abstract [PDF]
MD10.27
Andreja Vujicic-Zagar, Tjaard Pijning, Slavko Kralj, Cesar A López, Wieger Eeuwema, Lubbert Dijkhuizen, Bauke W Dijkstra
Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes

PNAS 107 (2010) 21406–21411

article [PDF]

abstract

MD10.28

A. Kazaryan, J. C. M. Kistemaker, L. V. Schäfer, W. R. Browne, B. L. Feringa, M. Filatov

Understanding the Dynamics Behind the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor

J. Phys. Chem. A. 114 (15) ( 2010) 5058–5067

article [PDF]

abstract

MD10.29

Tamiola K, Acar B, Mulder F A A

Sequence-Specific Random Coil Chemical Shifts of Intrinsically Disordered Proteins

J Am Chem Soc.132 (51) (2010) 18000-18003

article [PDF]

suppl. [PDF]

abstract [PDF]

MD10.30

Lindman S, Bauer M C, Lund M, Diehl C, Mulder F A A, Akke M, Linse S

pK(a) values for the unfolded state under native conditions explain the pH-dependent stability of PGB1

Biophys J . 99 (10) (2010) 3365-3373

article [PDF]

abstract [PDF]

MD10.31 XX
MD10.32

N Goga, co-author

Standard IEEE 11073-10421- Peak flow Monitor

MD10.33

N Goga , co-author

Standard IEEE 11073-10420- Body Composition Monitor

MD10.34

N Goga , co-author

Standard IEEE 11073-10472- Medication Monitor

Last modified:December 23, 2011 10:54
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