| Name | Title | Year |
|---|---|---|
| Kang2014 |
Molecular dynamics simulations of palmitoyloleoylphosphatidylglycerol bilayers
Kang Hojin,
Klauda Jeffery B.
Molecular Simulation, 2014, 41. DOI: 10.1080/08927022.2014.926548 |
2014 |
| Dickson2014 |
Lipid14: The Amber Lipid Force Field
Dickson Callum J.,
Madej Benjamin D.,
Skjevik Åge A.,
Betz Robin M.,
Teigen Knut,
Gould Ian R.,
Walker Ross C.
Journal of Chemical Theory and Computation, 2014, 10. DOI: 10.1021/ct4010307 |
2014 |
| López2013 |
Martini Force Field Parameters for Glycolipids
López César A.,
Sovova Zofie,
van Eerden Floris J.,
de Vries Alex H.,
Marrink Siewert J.
Journal of Chemical Theory and Computation, 2013, 9. DOI: 10.1021/ct3009655 |
2013 |
| Venable2013 |
Simulations of Anionic Lipid Membranes: Development of Interaction-Specific Ion Parameters and Validation Using NMR Data
Venable Richard M.,
Luo Yun,
Gawrisch Klaus,
Roux Benoît,
Pastor Richard W.
The Journal of Physical Chemistry B, 2013, 117. DOI: 10.1021/jp401512z |
2013 |
| Jämbeck2012a |
Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids
Jämbeck Joakim P. M.,
Lyubartsev Alexander P.
The Journal of Physical Chemistry B, 2012, 116. DOI: 10.1021/jp212503e |
2012 |
| Jämbeck2012b |
An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes
Jämbeck Joakim P. M.,
Lyubartsev Alexander P.
Journal of Chemical Theory and Computation, 2012, 8. DOI: 10.1021/ct300342n |
2012 |
| Jämbeck2012c |
Another Piece of the Membrane Puzzle: Extending Slipids Further
Jämbeck Joakim P. M.,
Lyubartsev Alexander P.
Journal of Chemical Theory and Computation, 2012, 9. DOI: 10.1021/ct300777p |
2012 |
| Pandit2012 |
Membrane models of E. coli containing cyclic moieties in the aliphatic lipid chain
Pandit Kunal R.,
Klauda Jeffery B.
Biochimica et Biophysica Acta (BBA) - Biomembranes, 2012, 1818. DOI: 10.1016/j.bbamem.2012.01.009 |
2012 |
| Lim2012 |
Update of the Cholesterol Force Field Parameters in CHARMM
Lim Joseph B.,
Rogaski Brent,
Klauda Jeffery B.
The Journal of Physical Chemistry B, 2012, 116. DOI: 10.1021/jp207925m |
2012 |
| Klauda2012 |
Improving the CHARMM Force Field for Polyunsaturated Fatty Acid Chains
Klauda Jeffery B.,
Monje Viviana,
Kim Taehoon,
Im Wonpil
The Journal of Physical Chemistry B, 2012, 116. DOI: 10.1021/jp304056p |
2012 |
| Lim2011 |
Lipid chain branching at the iso- and anteiso-positions in complex chlamydia membranes: A molecular dynamics study
Lim Joseph B.,
Klauda Jeffery B.
Biochimica et Biophysica Acta (BBA) - Biomembranes, 2011, 1808. DOI: 10.1016/j.bbamem.2010.07.036 |
2011 |
| Hakobyan2011 |
The properties of glycophorin A transmembrane helices in erythrocyte asymmetric membrane: a molecular dynamics study
Hakobyan P. K.
Journal of Atomic and Molecular Sciences, 2011, 2. DOI: 10.4208/jams.012711.021511a |
2011 |
| Klauda2010 |
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
Klauda Jeffery B.,
Venable Richard M.,
Freites J. Alfredo,
O’Connor Joseph W.,
Tobias Douglas J.,
Mondragon-Ramirez Carlos,
Vorobyov Igor,
MacKerell Alexander D.,
Pastor Richard W.
The Journal of Physical Chemistry B, 2010, 114. DOI: 10.1021/jp101759q |
2010 |
| Dahlberg2010 |
Mechanical Properties of Coarse-Grained Bilayers Formed by Cardiolipin and Zwitterionic Lipids
Dahlberg Martin,
Maliniak Arnold
Journal of Chemical Theory and Computation, 2010, 6. DOI: 10.1021/ct900654e |
2010 |
| Jo2009 |
CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes
Jo Sunhwan,
Lim Joseph B.,
Klauda Jeffery B.,
Im Wonpil
Biophysical Journal, 2009, 97. DOI: 10.1016/j.bpj.2009.04.013 |
2009 |
| Li2009 |
Molecular Dynamics Simulations of PIP2 and PIP3 in Lipid Bilayers: Determination of Ring Orientation, and the Effects of Surface Roughness on a Poisson-Boltzmann Description
Li Zheng,
Venable Richard M.,
Rogers Laura A.,
Murray Diana,
Pastor Richard W.
Biophysical Journal, 2009, 97. DOI: 10.1016/j.bpj.2009.04.037 |
2009 |
| Chiu2009 |
An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers
Chiu See-Wing,
Pandit Sagar A.,
Scott H. L.,
Jakobsson Eric
The Journal of Physical Chemistry B, 2009, 113. DOI: 10.1021/jp807056c |
2009 |
| Chiu2009b |
Structure of Sphingomyelin Bilayers: A Simulation Study
Chiu S.W.,
Vasudevan S.,
Jakobsson Eric,
Mashl R. Jay,
Scott H. Larry
Biophysical Journal, 2009, 85. DOI: 10.1016/s0006-3495(03)74780-8 |
2009 |
| Jo2008 |
CHARMM-GUI: A web-based graphical user interface for CHARMM
Jo Sunhwan,
Kim Taehoon,
Iyer Vidyashankara G.,
Im Wonpil
Journal of Computational Chemistry, 2008, 29. DOI: 10.1002/jcc.20945 |
2008 |
| Baoukina2008 |
The molecular mechanism of lipid monolayer collapse
Baoukina S.,
Monticelli L.,
Risselada H. J.,
Marrink S. J.,
Tieleman D. P.
Proceedings of the National Academy of Sciences, 2008, 105. DOI: 10.1073/pnas.0711563105 |
2008 |
| Pandit2008 |
Cholesterol Packing around Lipids with Saturated and Unsaturated Chains: A Simulation Study
Pandit Sagar A.,
Chiu See-Wing,
Jakobsson Eric,
Grama Ananth,
Scott H. L.
Langmuir, 2008, 24. DOI: 10.1021/la8004135 |
2008 |
| Marrink2007 |
The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations
Marrink Siewert J.,
Risselada H. Jelger,
Yefimov Serge,
Tieleman D. Peter,
de Vries Alex H.
The Journal of Physical Chemistry B, 2007, 111. DOI: 10.1021/jp071097f |
2007 |
| Marrink2007b |
Cholesterol Shows Preference for the Interior of Polyunsaturated Lipid Membranes
Marrink Siewert J.,
de Vries Alex H.,
Harroun Thad. A.,
Katsaras John,
Wassall Stephen R.
Journal of the American Chemical Society, 2007, 130. DOI: 10.1021/ja076641c |
2007 |
| Dahlberg2007 |
Polymorphic Phase Behavior of Cardiolipin Derivatives Studied by Coarse-Grained Molecular Dynamics
Dahlberg Martin
The Journal of Physical Chemistry B, 2007, 111. DOI: 10.1021/jp071954f |
2007 |
| Pandit2006 |
Cholesterol Surrogates: A Comparison of Cholesterol and 16:0 Ceramide in POPC Bilayers
Pandit Sagar A.,
Chiu See-Wing,
Jakobsson Eric,
Grama Ananth,
Scott H.L.
Biophysical Journal, 2006, 92. DOI: 10.1529/biophysj.106.095034 |
2006 |