Understanding a Substrate’s Product Regioselectivity in a Family of Enzymes: A Case Study of Acetaminophen Binding in Cytochrome P450s

por Yang, Yue, Wong, Sergio E., Lightstone, Felice C.
Publicado 2014

Rapid Catalytic Template Searching as an Enzyme Function Prediction Procedure

por Nilmeier, Jerome P., Kirshner, Daniel A., Wong, Sergio E., Lightstone, Felice C.
Publicado 2013

E9-Im9 Colicin DNase−Immunity Protein Biomolecular Association in Water: A Multiple-Copy and Accelerated Molecular Dynamics Simulation Study

por Baron, Riccardo, Wong, Sergio E., de Oliveira, Cesar A. F., McCammon, J. Andrew
Publicado 2008

Quantitative In Silico analysis of transient metabolism of acetaminophen and associated causes of hepatotoxicity in humans

por Navid, Ali, Ng, David M, Stewart, Benjamin J, Wong, Sergio E, Lightstone, Felice C
Publicado 2013

Adverse Drug Reaction Prediction Using Scores Produced by Large-Scale Drug-Protein Target Docking on High-Performance Computing Machines

por LaBute, Montiago X., Zhang, Xiaohua, Lenderman, Jason, Bennion, Brian J., Wong, Sergio E., Lightstone, Felice C.
Publicado 2014

Comparison and Analysis of Zinc and Cobalt-Based Systems as Catalytic Entities for the Hydration of Carbon Dioxide

por Lau, Edmond Y., Wong, Sergio E., Baker, Sarah E., Bearinger, Jane P., Koziol, Lucas, Valdez, Carlos A., Satcher, Joseph H., Aines, Roger D., Lightstone, Felice C.
Publicado 2013

Clustering Protein Binding Pockets and Identifying Potential Drug Interactions: A Novel Ligand-Based Featurization Method

por Stevenson, Garrett A., Kirshner, Dan, Bennion, Brian J., Yang, Yue, Zhang, Xiaohua, Zemla, Adam, Torres, Marisa W., Epstein, Aidan, Jones, Derek, Kim, Hyojin, Bennett, W. F. Drew, Wong, Sergio E., Allen, Jonathan E., Lightstone, Felice C.
Publicado 2023

Efficient Computational Modeling of Human Ventricular Activation and Its Electrocardiographic Representation: A Sensitivity Study

por Cranford, Jonathan P., O’Hara, Thomas J., Villongco, Christopher T., Hafez, Omar M., Blake, Robert C., Loscalzo, Joseph, Fattebert, Jean-Luc, Richards, David F., Zhang, Xiaohua, Glosli, James N., McCulloch, Andrew D., Krummen, David E., Lightstone, Felice C., Wong, Sergio E.
Publicado 2018

Tricyclic GyrB/ParE (TriBE) Inhibitors: A New Class of Broad-Spectrum Dual-Targeting Antibacterial Agents

por Tari, Leslie W., Li, Xiaoming, Trzoss, Michael, Bensen, Daniel C., Chen, Zhiyong, Lam, Thanh, Zhang, Junhu, Lee, Suk Joong, Hough, Grayson, Phillipson, Doug, Akers-Rodriguez, Suzanne, Cunningham, Mark L., Kwan, Bryan P., Nelson, Kirk J., Castellano, Amanda, Locke, Jeff B., Brown-Driver, Vickie, Murphy, Timothy M., Ong, Voon S., Pillar, Chris M., Shinabarger, Dean L., Nix, Jay, Lightstone, Felice C., Wong, Sergio E., Nguyen, Toan B., Shaw, Karen J., Finn, John
Publicado 2013