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Journal of Chemical Theory and Computation
|
November 15, 2018
Improvements to the AMOEBA Force Field by Introducing Anisotropic Atomic Polarizability of the Water Molecule
Akshaya K Das, Omar N Demerdash, Teresa Head-Gordon
ACS Omega
|
May 6, 2024
Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents
Mood Mohan, Omar N Demerdash, Blake A Simmons, et al.
Journal of Chemical Theory and Computation
|
February 22, 2024
Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents
Mood Mohan, Karuna Devi Jetti, Micholas Dean Smith, et al.
Nature Communications
|
December 11, 2019
Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum
Valeriu Bortnov, Marco Tonelli, Woonghee Lee, et al.
Journal of Molecular Biology
|
February 9, 2016
CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding Sites
Peter Cimermancic, Patrick Weinkam, T Justin Rettenmaier, et al.
The Journal of Physical Chemistry. B
|
August 12, 2016
Advanced Potential Energy Surfaces for Molecular Simulation
Alex Albaugh, Henry A Boateng, Richard T Bradshaw, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 15, 2018
Improvements to the AMOEBA Force Field by Introducing Anisotropic Atomic Polarizability of the Water Molecule
Akshaya K Das, Omar N Demerdash, Teresa Head-Gordon
ACS Omega
|
May 6, 2024
Physics-Based Machine Learning Models Predict Carbon Dioxide Solubility in Chemically Reactive Deep Eutectic Solvents
Mood Mohan, Omar N Demerdash, Blake A Simmons, et al.
Journal of Chemical Theory and Computation
|
February 22, 2024
Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents
Mood Mohan, Karuna Devi Jetti, Micholas Dean Smith, et al.
Nature Communications
|
December 11, 2019
Solution structure of human myeloid-derived growth factor suggests a conserved function in the endoplasmic reticulum
Valeriu Bortnov, Marco Tonelli, Woonghee Lee, et al.
Journal of Molecular Biology
|
February 9, 2016
CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding Sites
Peter Cimermancic, Patrick Weinkam, T Justin Rettenmaier, et al.
The Journal of Physical Chemistry. B
|
August 12, 2016
Advanced Potential Energy Surfaces for Molecular Simulation
Alex Albaugh, Henry A Boateng, Richard T Bradshaw, et al.
Page
of 1