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Langmuir : the ACS Journal of Surfaces and Colloids|June 2, 2025
Thermodynamics of Self-Assembly and Supramolecular Transitions Using Enhanced SamplingZhitong Jiang, Zachariah Vicars, Suruchi Fialoke, 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 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 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 FergusonCell Reports|December 31, 2013
BET bromodomain inhibition triggers apoptosis of NF1-associated malignant peripheral nerve sheath tumors through Bim inductionAmish J Patel, Chung-Ping Liao, Zhiguo Chen, et al.The Journal of Physical Chemistry. B|January 13, 2012
Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and functionAmish J Patel, Patrick Varilly, Sumanth N Jamadagni, et al.Cancer Cell|December 3, 2014
Cells of origin in the embryonic nerve roots for NF1-associated plexiform neurofibromaZhiguo Chen, Chiachi Liu, Amish J Patel, et al.Pageof 16