An Electrostatic Funnel in the GABA-Binding Pathway

Por Carpenter, Timothy S., Lightstone, Felice C.
Publicado no PLoS Comput Biol (2016)

Modeling Neuronal Nicotinic and GABA Receptors: Important Interface Salt-Links and Protein Dynamics

Por Law, Richard J., Lightstone, Felice C.
Publicado em 2009

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 em 2014

A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin

Por Zhang, Xiaohua, Perez-Sanchez, Horacio, Lightstone, Felice C.
Publicado no Curr Top Med Chem (2017)

Catalytic site identification—a web server to identify catalytic site structural matches throughout PDB

Por Kirshner, Daniel A., Nilmeier, Jerome P., Lightstone, Felice C.
Publicado em 2013

An Ion Gating Mechanism of Gastric H,K-ATPase Based on Molecular Dynamics Simulations

Por Law, Richard J., Munson, Keith, Sachs, George, Lightstone, Felice C.
Publicado em 2008

Nonenzymatic and enzymatic hydrolysis of alkyl halides: A theoretical study of the S(N)2 reactions of acetate and hydroxide ions with alkyl chlorides

Por Maulitz, Andreas H., Lightstone, Felice C., Zheng, Ya-Jun, Bruice, Thomas C.
Publicado em 1997

Non-enzymatic and enzymatic hydrolysis of alkyl halides: A haloalkane dehalogenation enzyme evolved to stabilize the gas-phase transition state of an S(N)2 displacement reaction

Por Lightstone, Felice C., Zheng, Ya-Jun, Maulitz, Andreas H., Bruice, Thomas C.
Publicado em 1997

Rapid Catalytic Template Searching as an Enzyme Function Prediction Procedure

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

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 no In Silico Pharmacol (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 em 2014

A Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Molecular Dynamics Simulations

Por Carpenter, Timothy S., Kirshner, Daniel A., Lau, Edmond Y., Wong, Sergio E., Nilmeier, Jerome P., Lightstone, Felice C.
Publicado em 2014

A Wrench in the Works of Human Acetylcholinesterase: Soman Induced Conformational Changes Revealed by Molecular Dynamics Simulations

Por Bennion, Brian J., Essiz, Sebnem G., Lau, Edmond Y., Fattebert, Jean-Luc, Emigh, Aiyana, Lightstone, Felice C.
Publicado no PLoS One (2015)

Selectively Targeting T- and B-Cell Lymphomas: A Benzothiazole Antagonist of α(4)β(1) Integrin

Por Carpenter, Richard D., Andrei, Mirela, Aina, Olulanu H., Lau, Edmond Y., Lightstone, Felice C., Liu, Ruiwu, Lam, Kit S., Kurth, Mark J.
Publicado em 2009

GABA(A) receptor target of tetramethylenedisulfotetramine

Por Zhao, Chunqing, Hwang, Sung Hee, Buchholz, Bruce A., Carpenter, Timothy S., Lightstone, Felice C., Yang, Jun, Hammock, Bruce D., Casida, John E.
Publicado em 2014

Halogenated benzimidazole carboxamides target integrin alpha4 beta1 on T and B cell lymphomas()

Por Carpenter, Richard D., Natarajan, Arutselvan, Lau, Edmond Y., Andrei, Mirela, Solano, Danielle M., Lightstone, Felice C., DeNardo, Sally J., Lam, Kit S., Kurth, Mark J.
Publicado em 2010

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 em 2013

The use of one-bead one-compound combinatorial library technology to discover high-affinity αvβ3 integrin and cancer targeting RGD ligands with a build-in handle

Por Xiao, Wenwu, Wang, Yan, Lau, Edmond Y., Luo, Juntao, Yao, Nianhuan, Shi, Changying, Meza, Leah, Tseng, Harry, Maeda, Yoshiko, Kumaresan, Pappanaicken, Liu, Ruiwu, Lightstone, Felice C., Takada, Yoshikazu, Lam, Kit S.
Publicado em 2010

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 em 2013