TY - GEN AU - Dissanayake,Thakshila AU - Swails,Jason M AU - Harris,Michael E AU - Roitberg,Adrian E AU - York,Darrin M TI - Interpretation of pH-activity profiles for acid-base catalysis from molecular simulations SN - 1520-4995 PY - 2015///0408 KW - Acid-Base Equilibrium KW - Catalysis KW - Hydrogen-Ion Concentration KW - Molecular Dynamics Simulation N1 - Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S UR - https://doi.org/10.1021/bi5012833 ER -