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The Journal of Chemical Physics|August 24, 2018
Collective variable discovery and enhanced sampling using autoencoders: Innovations in network architecture and error function designWei Chen, Aik Rui Tan, Andrew L FergusonPlos One|December 9, 2020
Free energy calculations of the functional selectivity of 5-HT2B G protein-coupled receptorBrandon L Peters, Jinxia Deng, Andrew L FergusonThe Journal of Physical Chemistry. B|April 19, 2017
Mesoscale Simulation and Machine Learning of Asphaltene Aggregation Phase Behavior and Molecular Assembly LandscapesJiang Wang, Mohit A Gayatri, Andrew L FergusonThe Journal of Physical Chemistry. B|May 24, 2013
Free energy of solvated salt bridges: a simulation and experimental studyAndrew D White, Andrew J Keefe, Jean-Rene Ella-Menye, et al.Journal of the American Chemical Society|October 7, 2014
Diatom mimics: directing the formation of biosilica nanoparticles by controlled folding of lysine-leucine peptidesJoe E Baio, Ariel Zane, Vance Jaeger, et al.The Journal of Physical Chemistry. B|April 14, 2009
Solubility and molecular conformations of n-alkane chains in waterAndrew L Ferguson, Pablo G Debenedetti, Athanassios Z PanagiotopoulosJournal of Chemical Theory and Computation|January 26, 2023
Learned Reconstruction of Protein Folding Trajectories from Noisy Single-Molecule Time SeriesMaximilian Topel, Ayesha Ejaz, Allison Squires, et al.Proceedings of the National Academy of Sciences of the United States of America|November 21, 2022
Learning the relationship between nanoscale chemical patterning and hydrophobicityNicholas B Rego, Andrew L Ferguson, Amish J PatelACS Synthetic Biology|November 21, 2023
ProtWave-VAE: Integrating Autoregressive Sampling with Latent-Based Inference for Data-Driven Protein DesignNikša Praljak, Xinran Lian, Rama Ranganathan, et al.The Journal of Physical Chemistry. B|February 2, 2021
Pushing and Pulling: A Dual pH Trigger Controlled by Varying the Alkyl Tail Length in Heme Coordinating Peptide AmphiphilesH Christopher Fry, Brandon L Peters, Andrew L FergusonPageof 23