James W. Gauld

According to our database, James W. Gauld authored at least 4 papers between 2011 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2021

Simulated Breathing: Application of Molecular Dynamics Simulations to Pulmonary Lung Surfactant.

Maksymilian Dziura, Basel Mansour, Mitchell DiPasquale, P. Charukeshi Chandrasekera, James W. Gauld, Drew Marquardt

Symmetry, 2021

Hydrolysis Mechanism of the Linkers by Matrix Metalloproteinase-9 Using QM/MM Calculations.

Binbin Chen, Zhengzhong Kang, En Zheng, Yingchun Liu, James W. Gauld, Qi Wang

J. Chem. Inf. Model., 2021

2013

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.

Eric A. C. Bushnell, James W. Gauld

J. Comput. Chem., 2013

2011

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.

Eric A. C. Bushnell, Edvin Erdtman, Jorge Llano, Leif A. Eriksson, James W. Gauld

J. Comput. Chem., 2011