Computational Screening and Selection of Cyclic Peptide Hairpin Mimetics by Molecular Simulation and Kinetic Network Models. - Asghar M. Razavi; William M. Wuest; Vincent A. Voelz (J. Chem. Inf. Model., 2014)

Molecular Simulation of Conformational Pre-Organization in Cyclic RGD Peptides. - Amanda E. Wakefield; William M. Wuest; Vincent A. Voelz (J. Chem. Inf. Model., 2015)

A new class of synthetic retinoid antibiotics effective against bacterial persisters. - Wooseong Kim; Wenpeng Zhu; Gabriel Lambert Hendricks; Daria Van Tyne; Andrew D. Steele; Colleen E. Keohane; Nico Fricke; Annie L. Conery; Steven Shen; Wen Pan; Kiho Lee; Rajmohan Rajamuthiah; et al. (Nat., 2018)

Property-Controllable Generation of Quaternary Ammonium Compounds. - Bo Pan; Yinkai Wang; Xuanyang Lin; Muran Qin; Yuanqi Du; Shiva Ghaemi; Aowei Ding; Shiyu Wang 002; Saleh AlKhalifa; Kevin Minbiole; William M. Wuest; Ashley Ann Petersen; et al. (BIBM, 2022)

Generation and Characterization of Quaternary Ammonium Compounds via Deep Learning. - Yinkai Wang; Shiva Ghaemi; Aowei Ding; Yuanqui Du; Bo Pan; Muran Qin; Xuanyang Lin; Ashley Ann Petersen; Austin Leitgeb; Saleh AlKhalifa; Kevin Minbiole; William M. Wuest; et al. (BIBM, 2022)

Multi-objective Deep Data Generation with Correlated Property Control. - Shiyu Wang 002; Xiaojie Guo 002; Xuanyang Lin; Bo Pan; Yuanqi Du; Yinkai Wang; Yanfang Ye 001; Ashley Ann Petersen; Austin Leitgeb; Saleh AlKhalifa; Kevin Minbiole; William M. Wuest; et al. (NeurIPS, 2022)