Title : Constant-pH Brownian Dynamics Simulations of a Protein near a Charged Surface.

Pub. Date : 2020 Nov 24

PMID : 33251463






1 Functional Relationships(s)
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1 We show that electrostatic interactions with the negatively charged plane substantially modify probabilities of different protonation states of lysozyme and shift protonation equilibria of both acidic and basic amino acid side chains toward higher pH values. Amino Acids, Basic lysozyme Homo sapiens