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Journal of the American Chemical Society|September 12, 2024
The G Protein-First Mechanism for Activation of the Class B Glucagon-like Peptide 1 Receptor Coupled to N-Terminal Domain-Mediated Conformational ProgressionBo Li, Moon Young Yang, Soo-Kyung Kim, et al.
The Journal of Physical Chemistry Letters|August 16, 2015
CCl Radicals As a Carbon Source for Diamond Thin Film DepositionQi An, Mu-Jeng Cheng, William A Goddard, et al.
Proceedings of the National Academy of Sciences of the United States of America|July 8, 2025
Unveiling the charge transport blockade in the D2 branch of the photosystem II reaction centerAditya Kumar Mandal, Shubham Basera, William A Goddard, et al.
Angewandte Chemie (International Ed. in English)|December 7, 2023
Partially Ion-Paired Solvation Structure Design for Lithium-Sulfur Batteries under Extreme Operating ConditionsGuorui Cai, Hongpeng Gao, Mingqian Li, et al.
Chemmedchem|August 5, 2010
Prediction of the three-dimensional structure for the rat urotensin II receptor, and comparison of the antagonist binding sites and binding selectivity between human and rat receptors from atomistic simulationsSoo-Kyung Kim, Youyong Li, Changmoon Park, et al.
Nanoscale|May 13, 2015
Phase stability in nanoscale material systems: extension from bulk phase diagramsSaurabh Bajaj, Michael G Haverty, Raymundo Arróyave, et al.
Physical Chemistry Chemical Physics : PCCP|December 22, 2015
Prediction of the Chapman-Jouguet chemical equilibrium state in a detonation wave from first principles based reactive molecular dynamicsDezhou Guo, Sergey V Zybin, Qi An, et al.
Proceedings of the National Academy of Sciences of the United States of America|August 8, 2018
Interface dynamics: Mechanisms of stabilization and destabilization and structure of flow fieldsSnezhana I Abarzhi, Daniil V Ilyin, William A Goddard, et al.
Chemical Research in Toxicology|November 18, 2003
First principles calculations of the pKa values and tautomers of isoguanine and xanthineKatherine Noyes Rogstad, Yun Hee Jang, Lawrence C Sowers, et al.
The Journal of Physical Chemistry. B|April 21, 2006
Theoretical investigation of the structure and coverage of the Si(111)-OCH3 surfaceSantiago D Solares, David J Michalak, William A Goddard, et al.
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