Verger, 1997, Trends Biotechnol., 15, 32, 10.1016/S0167-7799(96)10064-0
Reis, 2009, Adv. Colloid Interface Sci., 147, 237, 10.1016/j.cis.2008.06.001
Schmid, 1998, Angew. Chem., Int. Ed., 37, 1608, 10.1002/(SICI)1521-3773(19980703)37:12<1608::AID-ANIE1608>3.0.CO;2-V
Xie, 2014, J. Biol. Chem., 289, 7994, 10.1074/jbc.M113.536045
Brzozowski, 1991, Nature, 351, 491, 10.1038/351491a0
Uppenberg, 1994, Structure, 2, 293, 10.1016/S0969-2126(00)00031-9
Martinelle, 1995, Biochim. Biophys. Acta, Lipids Lipid Metab., 1258, 272, 10.1016/0005-2760(95)00131-U
Zisis, 2015, Biochemistry, 54, 5969, 10.1021/acs.biochem.5b00586
Anderson, 1998, Biocatal. Biotransform., 16, 181, 10.3109/10242429809003198
Skjøt, 2009, ChemBioChem, 10, 520, 10.1002/cbic.200800668
Ganjalikhany, 2012, PLoS One, 7, e40327, 10.1371/journal.pone.0040327
Stauch, 2015, J. Lipid Res., 56, 2348, 10.1194/jlr.M063388
Uppenberg, 1995, Biochemistry, 34, 16838, 10.1021/bi00051a035
Karplus, 2002, Nat. Struct. Biol, 265, 646, 10.1038/nsb0902-646
Tu, 2013, Nat. Nanotechnol., 8, 594, 10.1038/nnano.2013.125
Luan, 2015, ACS Nano, 9, 663, 10.1021/nn506011j
Mathesh, 2016, ACS Catal., 6, 4760, 10.1021/acscatal.6b00942
Rehm, 2010, Protein Sci., 19, 2122, 10.1002/pro.493
Phillips, 2005, J. Comput. Chem., 26, 1781, 10.1002/jcc.20289
MacKerell Jr., 1998, J. Phys. Chem. B, 102, 3586, 10.1021/jp973084f
Jorgensen, 1983, J. Chem. Phys., 79, 926, 10.1063/1.445869
Neria, 1996, J. Chem. Phys., 105, 1902, 10.1063/1.472061
Beglov, 1994, J. Chem. Phys., 100, 9050, 10.1063/1.466711
M. P.
Allen
and D. J.Tildesley, Computer Simulation of Liquids, Oxford University Press, New York, 1987
Martyna, 1994, J. Chem. Phys., 101, 4177, 10.1063/1.467468
Miyamoto, 1992, J. Comput. Chem., 13, 952, 10.1002/jcc.540130805
Zhou, 2003, Proc. Natl. Acad. Sci. U. S. A., 100, 13280, 10.1073/pnas.2233312100
Horovitz, 1990, J. Mol. Biol., 216, 1031, 10.1016/S0022-2836(99)80018-7
Waldburger, 1995, Nat. Struct. Mol. Biol., 2, 122, 10.1038/nsb0295-122
Wang, 2012, Proc. Natl. Acad. Sci. U. S. A., 109, 1937, 10.1073/pnas.1114017109
C.
Chipot
and A.Pohorille, Free energy calculations, Springer, 2007
Engelkamp, 2006, Chem. Commun., 935, 10.1039/b516013h
Eydoux, 2008, Biochemistry, 47, 9553, 10.1021/bi8005576
