Hemeproteins 6 Hydrogen-Ion Concentration 6 Salivary Proteins and Peptides 6 pH 6 Computer Simulation 4 Free energy 4 Models, Chemical 4 Protein Conformation 4 article 4 chemistry 4 hemoprotein 4 molecular dynamics 4 nitrophorin 4 protein conformation 4 saliva protein 4 Accurate estimation 2 Activated conformations 2 Allosteric transitions 2 Allostery 2 Amino Acid Substitution 2 Amino acids 2 Animals 2 Aspartic Acid 2 Computational Biology 2 Conformational change 2 Conformational changes 2 Conformational ensembles 2 Conformational equilibrium 2 Conformational free energies 2 Conformational state 2