Solvation and cavity occupation in biomolecules - Lynch, Gillian C.; Perkyns, John S.; Nguyen, Bao Linh; Pettitt, B. Montgomery (Biochimica et biophysica acta, 2015)
Keywords: Binding Sites; equations; heme; Integral equations; molecular conformation; Molecular dynamics; Molecular Dynamics Simulation; myoglobin; Myoglobin - chemistry; Myoglobin - metabolism; Protein Binding; Protein Conformation; Proximal radial distribution functions; Solubility; Solvation; solvents; Solvents - chemistry; Solvents - metabolism; Structure-Activity Relationship; Surface Properties; Water - chemistry; Water - metabolism; X-ray diffraction; Molecular dynamics; Proximal radial distribution functions; Solvation; Integral equations