Optimization of Slipids Force Field Parameters Describing Headgroups of Phospholipids,įredrik Grote, Alexander P. Theory Comput., 9 (1), 774-784 (2013)Įxtension of the Slipids Force Field for Polyunsaturated Lipids, Theory Comput., 8 (8), 2938-2948 DOI: 10.1021/ct300342nĪnother Piece of the Membrane Puzzle: Extending Slipids Further, POPC, DOPC, SOPC, DOPE, POPE and similar:Īn Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes, Joakim P. Please feel free to use these parameters and/or coordinates for you own projects, but make sure you cite the following references:ĭerivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids, We have verified the compatibility by calculating both free energies of transfer of amino acid analogues and microsecond long simulations of the WALP23 helix embedded in a lipid bilayer. To study proteins in membranes just add our parameters to the AMBER protein force field you would like to use. They are supposed to work with AMBER99SB/AMBER99SB-ILDN/AMBER03/GAFF FF for proteins and small molecules.Ĭannot find the lipid bilayer composition you are looking for? Go over to MemGen or CHARMM-GUI and use their interface to built your system. Parameters are available for saturated and unsaturated PC, PS, PE, PG, SM lipids and cholesterol.
Here we share Slipids force field parameters inįormat, ready to use as well as equilibrated lipid bilayers.
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