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Example text
Model. 25, 247–260 (2006) 119. : Development and testing of a general AMBER force field. J. Comp. Chem. 25, 1157–1174 (2004) 120. : Exploring transmembrane diffusion pathways with molecular dynamics. Physiology 25, 142–154 (2010) 121. : Using selectively applied accelerated molecular dynamics to enhance free energy calculations. J. Chem. Theor. Comp. 6, 3285–3292 (2010) 122. : Coupling constant ph molecular dynamics with accelerated molecular dynamics. J. Chem. Theor. Comp. 6, 560–568 (2010) 123.
Opin. Struct. Biol. 19, 128–137 (2009) 67. : Docking and scoring in virtual screening for drug discovery: methods and applications. Nat. Rev. Drug Disc. 3, 939–945 (2004) 68. : Thermal Physics. W. H. Freeman, San Francisco (1980) 69. : Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types. J. Phys. Chem. B 114(23), 7830–7843 (2010) 70. : Virtual ligand screening: strategies, perspectives and limitations. Drug Discov. Today 11, 580–594 (2006) 28 Y. A. McCammon 71.
B 102, 3586–3616 (1998) 81. : Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations. J. Comp. Chem. 25, 1400–1415 (2004) 82. : Electrostatics and diffusion of molecules in solution: simulations with the university of houston brownian dynamics program. Comput. Phys. Commun. 91, 57–95 (1995) 83. : Exploring multiple timescale motions in protein gb3 using accelerated molecular dynamics and nmr spectroscopy.