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The Journal of Physical Chemistry Letters
|
October 27, 2025
Computing Reaction Kinetics with MC-PDFT-OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling
Aniruddha Seal, Laura Gagliardi, Andrew L Ferguson
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 Systems
Michael S Jones, Kirill Shmilovich, Andrew L Ferguson
Journal of Chemical Information and Modeling
|
January 8, 2025
FlowBack: A Generalized Flow-Matching Approach for Biomolecular Backmapping
Michael S Jones, Smayan Khanna, Andrew L Ferguson
Biophysical Journal
|
December 15, 2023
Data-driven prediction of α<sub>IIb</sub>β<sub>3</sub> integrin activation paths using manifold learning and deep generative modeling
Siva Dasetty, Tamara C Bidone, Andrew L Ferguson
The Journal of Physical Chemistry. B
|
March 1, 2021
Inverse Design of Self-Assembling Diamond Photonic Lattices from Anisotropic Colloidal Clusters
Yutao Ma, Joseph C Aulicino, Andrew L Ferguson
Journal of Chemical Theory and Computation
|
October 31, 2023
DiAMoNDBack: Diffusion-Denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
Michael S Jones, Kirill Shmilovich, Andrew L Ferguson
The Journal of Chemical Physics
|
August 24, 2018
Collective variable discovery and enhanced sampling using autoencoders: Innovations in network architecture and error function design
Wei Chen, Aik Rui Tan, Andrew L Ferguson
Plos One
|
December 9, 2020
Free energy calculations of the functional selectivity of 5-HT2B G protein-coupled receptor
Brandon L Peters, Jinxia Deng, Andrew L Ferguson
The Journal of Physical Chemistry. B
|
April 19, 2017
Mesoscale Simulation and Machine Learning of Asphaltene Aggregation Phase Behavior and Molecular Assembly Landscapes
Jiang Wang, Mohit A Gayatri, Andrew L Ferguson
The Journal of Physical Chemistry. B
|
April 14, 2009
Solubility and molecular conformations of n-alkane chains in water
Andrew L Ferguson, Pablo G Debenedetti, Athanassios Z Panagiotopoulos
Page
of 13
Search research articles
Search
Showing results (31-40 of 123) with videos related to
Sort By:
Page
of 13
The Journal of Physical Chemistry Letters
|
October 27, 2025
Computing Reaction Kinetics with MC-PDFT-OPESf: Combining Multireference Electronic Structure Theory and Enhanced Sampling
Aniruddha Seal, Laura Gagliardi, Andrew L Ferguson
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 Systems
Michael S Jones, Kirill Shmilovich, Andrew L Ferguson
Journal of Chemical Information and Modeling
|
January 8, 2025
FlowBack: A Generalized Flow-Matching Approach for Biomolecular Backmapping
Michael S Jones, Smayan Khanna, Andrew L Ferguson
Biophysical Journal
|
December 15, 2023
Data-driven prediction of α<sub>IIb</sub>β<sub>3</sub> integrin activation paths using manifold learning and deep generative modeling
Siva Dasetty, Tamara C Bidone, Andrew L Ferguson
The Journal of Physical Chemistry. B
|
March 1, 2021
Inverse Design of Self-Assembling Diamond Photonic Lattices from Anisotropic Colloidal Clusters
Yutao Ma, Joseph C Aulicino, Andrew L Ferguson
Journal of Chemical Theory and Computation
|
October 31, 2023
DiAMoNDBack: Diffusion-Denoising Autoregressive Model for Non-Deterministic Backmapping of Cα Protein Traces
Michael S Jones, Kirill Shmilovich, Andrew L Ferguson
The Journal of Chemical Physics
|
August 24, 2018
Collective variable discovery and enhanced sampling using autoencoders: Innovations in network architecture and error function design
Wei Chen, Aik Rui Tan, Andrew L Ferguson
Plos One
|
December 9, 2020
Free energy calculations of the functional selectivity of 5-HT2B G protein-coupled receptor
Brandon L Peters, Jinxia Deng, Andrew L Ferguson
The Journal of Physical Chemistry. B
|
April 19, 2017
Mesoscale Simulation and Machine Learning of Asphaltene Aggregation Phase Behavior and Molecular Assembly Landscapes
Jiang Wang, Mohit A Gayatri, Andrew L Ferguson
The Journal of Physical Chemistry. B
|
April 14, 2009
Solubility and molecular conformations of n-alkane chains in water
Andrew L Ferguson, Pablo G Debenedetti, Athanassios Z Panagiotopoulos
Page
of 13