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Journal of the American Chemical Society|December 13, 2016
The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO(2) (110) SurfaceYuan Ping, Robert J Nielsen, William A GoddardNature Chemistry|June 22, 2023
The dynamics of agonist-β2-adrenergic receptor activation induced by binding of GDP-bound Gs proteinAmirhossein Mafi, Soo-Kyung Kim, William A GoddardThe Journal of Physical Chemistry Letters|August 20, 2015
Universal Correction of Density Functional Theory to Include London Dispersion (up to Lr, Element 103)Hyungjun Kim, Jeong-Mo Choi, William A GoddardQRB Discovery|August 2, 2023
The G protein-first activation mechanism of opioid receptors by Gi protein and agonistsAmirhossein Mafi, Soo-Kyung Kim, William A GoddardProceedings of the National Academy of Sciences of the United States of America|March 5, 2020
The atomistic level structure for the activated human κ-opioid receptor bound to the full Gi protein and the MP1104 agonistAmirhossein Mafi, Soo-Kyung Kim, William A GoddardProteins|December 17, 2011
Bihelix: Towards de novo structure prediction of an ensemble of G-protein coupled receptor conformationsRavinder Abrol, Jenelle K Bray, William A GoddardMethods in Cell Biology|October 2, 2017
Identifying multiple active conformations in the G protein-coupled receptor activation landscape using computational methodsSijia S Dong, William A Goddard, Ravinder AbrolJournal of the American Chemical Society|November 9, 2018
Reaction Mechanism for the Hydrogen Evolution Reaction on the Basal Plane Sulfur Vacancy Site of MoS2 Using Grand Canonical Potential KineticsYufeng Huang, Robert J Nielsen, William A GoddardProceedings of the National Academy of Sciences of the United States of America|March 23, 2016
Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metalsYuanyue Liu, Boris V Merinov, William A GoddardThe Journal of Physical Chemistry. B|August 25, 2006
Exploring the molecular mechanism for color distinction in humansRene J Trabanino, Nagarajan Vaidehi, William A GoddardPageof 76