Lingle Wang

Publication Activity (10 Years)

Years Active: 2015-2023
Publications (10 Years): 6

Top Topics

Belief Propagation

Competitive Learning

Top Venues

J. Chem. Inf. Model.

Publications

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
Enhancing Hit Discovery in Virtual Screening through Absolute Protein-Ligand Binding Free-Energy Calculations. J. Chem. Inf. Model. 63 (10) (2023)
Gary Tresadern, Kanaka Tatikola, Javier Cabrera, Lingle Wang, Robert Abel, Herman van Vlijmen, Helena Geys
The Impact of Experimental and Calculated Error on the Performance of Affinity Predictions. J. Chem. Inf. Model. 62 (3) (2022)
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
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. J. Chem. Inf. Model. 61 (3) (2021)
Steven K. Albanese, John D. Chodera, Andrea Volkamer, Simon Keng, Robert Abel, Lingle Wang
Is Structure-Based Drug Design Ready for Selectivity Optimization? J. Chem. Inf. Model. 60 (12) (2020)
Janet L. Paulsen, Haoyu S. Yu, Dan Sindhikara, Lingle Wang, Todd Appleby, Armando G. Villaseñor, Uli Schmitz, Devleena Shivakumar
Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J. Chem. Inf. Model. 60 (7) (2020)
Haoyu S. Yu, Cen Gao, Dmitry Lupyan, Yujie Wu, Takayuki Kimura, Chuanjie Wu, Leif D. Jacobson, Edward Harder, Robert Abel, Lingle Wang
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics. J. Chem. Inf. Model. 59 (9) (2019)
Shuai Liu, Lingle Wang, David L. Mobley
Is Ring Breaking Feasible in Relative Binding Free Energy Calculations? J. Chem. Inf. Model. 55 (4) (2015)
Thomas B. Steinbrecher, Markus K. Dahlgren, Daniel Cappel, Teng Lin, Lingle Wang, Goran Krilov, Robert Abel, Richard A. Friesner, Woody Sherman
Accurate Binding Free Energy Predictions in Fragment Optimization. J. Chem. Inf. Model. 55 (11) (2015)