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Journal of Chemical Information and Modeling|October 5, 2021
CATBOSS: Cluster Analysis of Trajectories Based on Segment SplittingJovan Damjanovic, James M Murphy, Yu-Shan Lin
Physical Chemistry Chemical Physics : PCCP|December 17, 2020
Cyclic peptides: backbone rigidification and capability of mimicking motifs at protein-protein interfacesHe Huang, Jovan Damjanovic, Jiayuan Miao, et al.
Biopolymers|March 13, 2018
Understanding and designing head-to-tail cyclic peptidesDiana P Slough, Sean M McHugh, Yu-Shan Lin
Journal of Chemical Information and Modeling|September 28, 2017
Predictions for α-Helical Glycopeptide Design from Structural Bioinformatics AnalysisJulia R Rogers, Sean M McHugh, Yu-Shan Lin
Chemical Reviews|January 11, 2021
Elucidating Solution Structures of Cyclic Peptides Using Molecular Dynamics SimulationsJovan Damjanovic, Jiayuan Miao, He Huang, et al.
Journal of Chemical Theory and Computation|May 26, 2023
Training Neural Network Models Using Molecular Dynamics Simulation Results to Efficiently Predict Cyclic Hexapeptide Structural EnsemblesTiffani Hui, Marc L Descoteaux, Jiayuan Miao, et al.
Journal of Chemical Theory and Computation|March 12, 2026
Fast Generation of Simulation-Quality Structural Ensembles of Mixed-Chirality Cyclic Peptides via Diffusion ModelsNomindari Bayaraa, Maxim Secor, Marc L Descoteaux, et al.
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