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Patterns (New York, N.Y.)
|
June 27, 2022
Federated learning of molecular properties with graph neural networks in a heterogeneous setting
Wei Zhu, Jiebo Luo, Andrew D White
The Journal of Chemical Physics
|
October 8, 2018
Encoding and selecting coarse-grain mapping operators with hierarchical graphs
Maghesree Chakraborty, Chenliang Xu, Andrew D White
Biophysical Journal
|
December 25, 2012
Role of nonspecific interactions in molecular chaperones through model-based bioinformatics
Andrew D White, Wenjun Huang, Shaoyi Jiang
The Journal of Physical Chemistry. B
|
December 17, 2013
Difference of carboxybetaine and oligo(ethylene glycol) moieties in altering hydrophobic interactions: a molecular simulation study
Qing Shao, Andrew D White, Shaoyi Jiang
The Journal of Physical Chemistry. B
|
August 27, 2020
Experimentally Consistent Simulation of Aβ<sub>21-30</sub> Peptides with a Minimal NMR Bias
Dilnoza B Amirkulova, Maghesree Chakraborty, Andrew D White
Chemical Science
|
April 18, 2022
Model agnostic generation of counterfactual explanations for molecules
Geemi P Wellawatte, Aditi Seshadri, Andrew D White
The Journal of Chemical Physics
|
August 29, 2023
Neural potentials of proteins extrapolate beyond training data
Geemi P Wellawatte, Glen M Hocky, Andrew D White
The Journal of Chemical Physics
|
June 21, 2012
Different effects of zwitterion and ethylene glycol on proteins
Qing Shao, Yi He, Andrew D White, et al.
Chemical Science
|
January 20, 2025
A review of large language models and autonomous agents in chemistry
Mayk Caldas Ramos, Christopher J Collison, Andrew D White
Journal of Chemical Theory and Computation
|
November 18, 2015
Designing free energy surfaces that match experimental data with metadynamics
Andrew D White, James F Dama, Gregory A Voth
Page
of 11
Search research articles
Search
Showing results (21-30 of 104) with videos related to
Sort By:
Page
of 11
Patterns (New York, N.Y.)
|
June 27, 2022
Federated learning of molecular properties with graph neural networks in a heterogeneous setting
Wei Zhu, Jiebo Luo, Andrew D White
The Journal of Chemical Physics
|
October 8, 2018
Encoding and selecting coarse-grain mapping operators with hierarchical graphs
Maghesree Chakraborty, Chenliang Xu, Andrew D White
Biophysical Journal
|
December 25, 2012
Role of nonspecific interactions in molecular chaperones through model-based bioinformatics
Andrew D White, Wenjun Huang, Shaoyi Jiang
The Journal of Physical Chemistry. B
|
December 17, 2013
Difference of carboxybetaine and oligo(ethylene glycol) moieties in altering hydrophobic interactions: a molecular simulation study
Qing Shao, Andrew D White, Shaoyi Jiang
The Journal of Physical Chemistry. B
|
August 27, 2020
Experimentally Consistent Simulation of Aβ<sub>21-30</sub> Peptides with a Minimal NMR Bias
Dilnoza B Amirkulova, Maghesree Chakraborty, Andrew D White
Chemical Science
|
April 18, 2022
Model agnostic generation of counterfactual explanations for molecules
Geemi P Wellawatte, Aditi Seshadri, Andrew D White
The Journal of Chemical Physics
|
August 29, 2023
Neural potentials of proteins extrapolate beyond training data
Geemi P Wellawatte, Glen M Hocky, Andrew D White
The Journal of Chemical Physics
|
June 21, 2012
Different effects of zwitterion and ethylene glycol on proteins
Qing Shao, Yi He, Andrew D White, et al.
Chemical Science
|
January 20, 2025
A review of large language models and autonomous agents in chemistry
Mayk Caldas Ramos, Christopher J Collison, Andrew D White
Journal of Chemical Theory and Computation
|
November 18, 2015
Designing free energy surfaces that match experimental data with metadynamics
Andrew D White, James F Dama, Gregory A Voth
Page
of 11