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The Journal of Physical Chemistry. B|August 28, 2019
High-Resolution Markov State Models for the Dynamics of Trp-Cage Miniprotein Constructed Over Slow Folding Modes Identified by State-Free Reversible VAMPnetsHythem Sidky, Wei Chen, Andrew L FergusonThe Journal of Physical Chemistry Letters|October 27, 2025
Computing Reaction Kinetics with MC-PDFT-OPESf: Combining Multireference Electronic Structure Theory and Enhanced SamplingAniruddha Seal, Laura Gagliardi, Andrew L FergusonLangmuir : the ACS Journal of Surfaces and Colloids|November 1, 2023
Anisotropic Gold Nanomaterial Synthesis Using Peptide Facet Specificity and Timed InterventionKacper J Lachowski, Huat Thart Chiang, Kaylyn Torkelson, et al.Langmuir : the ACS Journal of Surfaces and Colloids|July 23, 2020
Studies of Dynamic Binding of Amino Acids to TiO2 Nanoparticle Surfaces by Solution NMR and Molecular Dynamics SimulationsMengjun Xue, Janani Sampath, Rachel N Gebhart, et al.Pharmaceutics|August 28, 2021
Formulation and Efficacy of Catalase-Loaded Nanoparticles for the Treatment of Neonatal Hypoxic-Ischemic EncephalopathyAndrea Joseph, Chris W Nyambura, Danielle Bondurant, et al.The Journal of Physical Chemistry. A|November 14, 2024
Tutorial on Molecular Latent Space Simulators (LSSs): Spatially and Temporally Continuous Data-Driven Surrogate Dynamical Models of Molecular SystemsMichael S Jones, Kirill Shmilovich, Andrew L FergusonJournal of Chemical Information and Modeling|January 8, 2025
FlowBack: A Generalized Flow-Matching Approach for Biomolecular BackmappingMichael S Jones, Smayan Khanna, Andrew L FergusonBiophysical Journal|December 15, 2023
Data-driven prediction of αIIbβ3 integrin activation paths using manifold learning and deep generative modelingSiva Dasetty, Tamara C Bidone, Andrew L FergusonThe Journal of Physical Chemistry. B|March 1, 2021
Inverse Design of Self-Assembling Diamond Photonic Lattices from Anisotropic Colloidal ClustersYutao Ma, Joseph C Aulicino, Andrew L FergusonJournal of Chemical Theory and Computation|October 31, 2023
DiAMoNDBack: Diffusion-Denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein TracesMichael S Jones, Kirill Shmilovich, Andrew L FergusonPageof 23