James W. Gauld

Publication Activity (10 Years)

Years Active: 2011-2021
Publications (10 Years): 2

Top Topics

Chest Radiographs

Hybrid Intelligent Systems

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Maksymilian Dziura, Basel Mansour, Mitchell DiPasquale, P. Charukeshi Chandrasekera, James W. Gauld, Drew Marquardt
Simulated Breathing: Application of Molecular Dynamics Simulations to Pulmonary Lung Surfactant. Symmetry 13 (7) (2021)
Binbin Chen, Zhengzhong Kang, En Zheng, Yingchun Liu, James W. Gauld, Qi Wang
Hydrolysis Mechanism of the Linkers by Matrix Metalloproteinase-9 Using QM/MM Calculations. J. Chem. Inf. Model. 61 (10) (2021)
Eric A. C. Bushnell, James W. Gauld
An assessment of pure, hybrid, meta, and hybrid-meta GGA density functional theory methods for open-shell systems: The case of the nonheme iron enzyme 8R-LOX. J. Comput. Chem. 34 (2) (2013)
Eric A. C. Bushnell, Edvin Erdtman, Jorge Llano, Leif A. Eriksson, James W. Gauld
The first branching point in porphyrin biosynthesis: A systematic docking, molecular dynamics and quantum mechanical/molecular mechanical study of substrate binding and mechanism of uroporphyrinogen-III decarboxylase. J. Comput. Chem. 32 (5) (2011)