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Science Advances|December 20, 2024
Trapped-ion quantum simulation of electron transfer models with tunable dissipationVisal So, Midhuna Duraisamy Suganthi, Abhishek Menon, et al.Nature Communications|February 5, 2024
DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant generative modelWei Lu, Jixian Zhang, Weifeng Huang, et al.Proceedings of the National Academy of Sciences of the United States of America|September 14, 2021
Frustrated peptide chains at the fibril tip control the kinetics of growth of amyloid-β fibrilsYuechuan Xu, Kaitlin Knapp, Kyle N Le, et al.Biophysical Journal|December 28, 2020
Frustration and Direct-Coupling Analyses to Predict Formation and Function of Adeno-Associated VirusNicole N Thadani, Qin Zhou, Kiara Reyes Gamas, et al.QRB Discovery|August 2, 2023
Resolving the fine structure in the energy landscapes of repeat proteinsMurilo N Sanches, R Gonzalo Parra, Rafael G Viegas, et al.Physical Chemistry Chemical Physics : PCCP|April 4, 2017
Energy landscapes for machine learningAndrew J Ballard, Ritankar Das, Stefano Martiniani, et al.Proceedings of the National Academy of Sciences of the United States of America|August 29, 2019
Assemblies of calcium/calmodulin-dependent kinase II with actin and their dynamic regulation by calmodulin in dendritic spinesQian Wang, Mingchen Chen, Nicholas P Schafer, et al.Nature Communications|December 5, 2025
Quantum simulation of charge and exciton transfer in multi-mode models using engineered reservoirsVisal So, Midhuna Duraisamy Suganthi, Mingjian Zhu, et al.Bioinformatics (Oxford, England)|March 15, 2021
FrustratometeR: an R-package to compute local frustration in protein structures, point mutants and MD simulationsAtilio O Rausch, Maria I Freiberger, Cesar O Leonetti, et al.Nature Communications|September 16, 2022
Unleashing the potential of noncanonical amino acid biosynthesis to create cells with precision tyrosine sulfationYuda Chen, Shikai Jin, Mengxi Zhang, et al.Pageof 23