The Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) approach has been widely applied as an efficient and reliable free energy simulation method to model molecular recognition, such as for ...

Crohn's disease and ulcerative colitis are idiopathic, chronic, relapsing, inflammatory conditions that are immunologically mediated. Although their exact etiologies remain uncertain, results from ...

Sudheendra et al. (2015) studied different analogous of human β-defensin-3 (HβD-3) by many different techniques. Using MD of POPC bilayers, modeled with the peptides embedded within the bilayer and ...

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