Lingle Wang

According to our database, Lingle Wang authored at least 8 papers between 2015 and 2023.

Collaborative distances:

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

2023

Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations.

Wei Chen, Di Cui, Steven V. Jerome, Mayako Michino, Eelke B. Lenselink, David J. Huggins, Alexandre Beautrait, Jeremie Vendome, Robert Abel, Richard A. Friesner, Lingle Wang

J. Chem. Inf. Model., May, 2023

2022

The Impact of Experimental and Calculated Error on the Performance of Affinity Predictions.

Gary Tresadern, Kanaka Tatikola, Javier Cabrera, Lingle Wang, Robert Abel, Herman van Vlijmen, Helena Geys

J. Chem. Inf. Model., 2022

2021

Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series.

Richard S. Hong, Alessandra Mattei, Ahmad Y. Sheikh, Rajni Miglani Bhardwaj, Michael A. Bellucci, Keith F. McDaniel, M. Olivia Pierce, Guangxu Sun, Sizhu Li, Lingle Wang, Sayan Mondal, Jianguo Ji, Thomas B. Borchardt

J. Chem. Inf. Model., 2021

2020

Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.

Janet L. Paulsen, Haoyu S. Yu, Dan Sindhikara, Lingle Wang, Todd Appleby, Armando G. Villaseñor, Uli Schmitz, Devleena Shivakumar

J. Chem. Inf. Model., 2020

Is Structure-Based Drug Design Ready for Selectivity Optimization?

Steven K. Albanese, John D. Chodera, Andrea Volkamer, Simon Keng, Robert Abel, Lingle Wang

J. Chem. Inf. Model., 2020

2019

Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics.

Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder, Robert Abel, Lingle Wang

J. Chem. Inf. Model., 2019

2015

Accurate Binding Free Energy Predictions in Fragment Optimization.

Thomas B. Steinbrecher, Markus K. Dahlgren, Daniel Cappel, Teng Lin, Lingle Wang, Goran Krilov, Robert Abel, Richard A. Friesner, Woody Sherman

J. Chem. Inf. Model., 2015

Is Ring Breaking Feasible in Relative Binding Free Energy Calculations?

Shuai Liu, Lingle Wang, David L. Mobley

J. Chem. Inf. Model., 2015