Thermodynamic integration network approach to ion transport through protein channels Perspectives and limits

von Na, Sehee
Veröffentlicht in: Journal of computational chemistry (2018)

Rotamer decomposition and protein dynamics efficiently analyzing dihedral populations from molecular dynamics

von Watanabe, Hiroshi
Veröffentlicht in: Journal of computational chemistry (2013)

Soft-core potentials in thermodynamic integration comparing one- and two-step transformations

von Steinbrecher, Thomas
Veröffentlicht in: Journal of computational chemistry (2011)