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Journal of Chemical Theory and Computation
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April 23, 2026
Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials
Soumajit Dutta, Cunzhi Zhang, Gustavo Perez Lemus, et al.
ACS Chemical Biology
|
September 3, 2016
Thermal Unthreading of the Lasso Peptides Astexin-2 and Astexin-3
Caitlin D Allen, Maria Y Chen, Alexander Y Trick, et al.
Plos Computational Biology
|
August 8, 2014
The fitness landscape of HIV-1 gag: advanced modeling approaches and validation of model predictions by in vitro testing
Jaclyn K Mann, John P Barton, Andrew L Ferguson, et al.
The Journal of Physical Chemistry. B
|
March 18, 2020
Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation
Kirill Shmilovich, Rachael A Mansbach, Hythem Sidky, et al.
Biophysical Journal
|
June 22, 2025
Recent advances in machine learning and coarse-grained potentials for biomolecular simulations
Adolfo B Poma, Alejandra Hinostroza Caldas, Luis F Cofas-Vargas, et al.
The Journal of Physical Chemistry. B
|
August 14, 2020
MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids
Mingfei Zhao, Janani Sampath, Sarah Alamdari, et al.
ACS Central Science
|
July 3, 2023
Denoising Autoencoder Trained on Simulation-Derived Structures for Noise Reduction in Chromatin Scanning Transmission Electron Microscopy
Walter Alvarado, Vasundhara Agrawal, Wing Shun Li, et al.
Biophysical Journal
|
January 18, 2025
Data-driven equation-free dynamics applied to many-protein complexes: The microtubule tip relaxation
Jiangbo Wu, Siva Dasetty, Daniel Beckett, et al.
ACS Nano
|
October 8, 2025
Non-Equilibrium Dynamics and Non-Gaussian Fluctuations of an Optical Matter System Manifesting Pseudorotation
Shiqi Chen, John A Parker, John Linderman, et al.
Biorxiv : the Preprint Server for Biology
|
April 24, 2023
Direct monitoring of the thermodynamics and kinetics of DNA and RNA dinucleotide dehybridization from gaps and overhangs
Brennan Ashwood, Michael S Jones, Aleksandar Radakovic, et al.
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Search research articles
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Showing results (91-100 of 123) with videos related to
Sort By:
Page
of 13
Journal of Chemical Theory and Computation
|
April 23, 2026
Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic Potentials
Soumajit Dutta, Cunzhi Zhang, Gustavo Perez Lemus, et al.
ACS Chemical Biology
|
September 3, 2016
Thermal Unthreading of the Lasso Peptides Astexin-2 and Astexin-3
Caitlin D Allen, Maria Y Chen, Alexander Y Trick, et al.
Plos Computational Biology
|
August 8, 2014
The fitness landscape of HIV-1 gag: advanced modeling approaches and validation of model predictions by in vitro testing
Jaclyn K Mann, John P Barton, Andrew L Ferguson, et al.
The Journal of Physical Chemistry. B
|
March 18, 2020
Discovery of Self-Assembling π-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation
Kirill Shmilovich, Rachael A Mansbach, Hythem Sidky, et al.
Biophysical Journal
|
June 22, 2025
Recent advances in machine learning and coarse-grained potentials for biomolecular simulations
Adolfo B Poma, Alejandra Hinostroza Caldas, Luis F Cofas-Vargas, et al.
The Journal of Physical Chemistry. B
|
August 14, 2020
MARTINI-Compatible Coarse-Grained Model for the Mesoscale Simulation of Peptoids
Mingfei Zhao, Janani Sampath, Sarah Alamdari, et al.
ACS Central Science
|
July 3, 2023
Denoising Autoencoder Trained on Simulation-Derived Structures for Noise Reduction in Chromatin Scanning Transmission Electron Microscopy
Walter Alvarado, Vasundhara Agrawal, Wing Shun Li, et al.
Biophysical Journal
|
January 18, 2025
Data-driven equation-free dynamics applied to many-protein complexes: The microtubule tip relaxation
Jiangbo Wu, Siva Dasetty, Daniel Beckett, et al.
ACS Nano
|
October 8, 2025
Non-Equilibrium Dynamics and Non-Gaussian Fluctuations of an Optical Matter System Manifesting Pseudorotation
Shiqi Chen, John A Parker, John Linderman, et al.
Biorxiv : the Preprint Server for Biology
|
April 24, 2023
Direct monitoring of the thermodynamics and kinetics of DNA and RNA dinucleotide dehybridization from gaps and overhangs
Brennan Ashwood, Michael S Jones, Aleksandar Radakovic, et al.
Page
of 13