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Journal of Chemical Theory and Computation
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July 21, 2025
Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo
Annette Lopez, Cody A Melton, Jeonghwan Ahn, et al.
Annual Review of Physical Chemistry
|
February 27, 2026
Quantum Computing Beyond Ground-State Electronic Structure: A Review of Progress Toward Quantum Chemistry Out of the Ground State
Alan Bidart, Prateek Vaish, Tilas Kabengele, et al.
The Journal of Physical Chemistry Letters
|
October 10, 2018
Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods
Hongxia Hao, James Shee, Shiv Upadhyay, et al.
Bioinformatics Advances
|
January 17, 2022
LYRUS: a machine learning model for predicting the pathogenicity of missense variants
Jiaying Lai, Jordan Yang, Ece D Gamsiz Uzun, et al.
The Journal of Biological Chemistry
|
February 5, 2025
Mobility of four structural regions drives isoform-specific properties of photoenzyme LPOR in plants
Michał Gabruk, Mateusz Łuszczyński, Katarzyna Szafran, et al.
Plos Computational Biology
|
June 27, 2022
Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase
Gabriel Monteiro da Silva, Jordan Yang, Bunlong Leang, et al.
Arxiv
|
August 7, 2023
Predicting Relative Populations of Protein Conformations without a Physics Engine Using AlphaFold2
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, et al.
The Journal of Physical Chemistry Letters
|
July 12, 2018
Pressure-Induced Phase Transformation and Band-Gap Engineering of Formamidinium Lead Iodide Perovskite Nanocrystals
Hua Zhu, Tong Cai, Meidan Que, et al.
Nature Communications
|
April 10, 2024
Author Correction: High-throughput prediction of protein conformational distributions with subsampled AlphaFold2
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, et al.
Biorxiv : the Preprint Server for Biology
|
August 7, 2023
Predicting Relative Populations of Protein Conformations without a Physics Engine Using AlphaFold 2
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, et al.
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Search research articles
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Showing results (11-20 of 39) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
July 21, 2025
Identifying Band Inversions in Topological Materials Using Diffusion Monte Carlo
Annette Lopez, Cody A Melton, Jeonghwan Ahn, et al.
Annual Review of Physical Chemistry
|
February 27, 2026
Quantum Computing Beyond Ground-State Electronic Structure: A Review of Progress Toward Quantum Chemistry Out of the Ground State
Alan Bidart, Prateek Vaish, Tilas Kabengele, et al.
The Journal of Physical Chemistry Letters
|
October 10, 2018
Accurate Predictions of Electron Binding Energies of Dipole-Bound Anions via Quantum Monte Carlo Methods
Hongxia Hao, James Shee, Shiv Upadhyay, et al.
Bioinformatics Advances
|
January 17, 2022
LYRUS: a machine learning model for predicting the pathogenicity of missense variants
Jiaying Lai, Jordan Yang, Ece D Gamsiz Uzun, et al.
The Journal of Biological Chemistry
|
February 5, 2025
Mobility of four structural regions drives isoform-specific properties of photoenzyme LPOR in plants
Michał Gabruk, Mateusz Łuszczyński, Katarzyna Szafran, et al.
Plos Computational Biology
|
June 27, 2022
Covalent docking and molecular dynamics simulations reveal the specificity-shifting mutations Ala237Arg and Ala237Lys in TEM beta-lactamase
Gabriel Monteiro da Silva, Jordan Yang, Bunlong Leang, et al.
Arxiv
|
August 7, 2023
Predicting Relative Populations of Protein Conformations without a Physics Engine Using AlphaFold2
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, et al.
The Journal of Physical Chemistry Letters
|
July 12, 2018
Pressure-Induced Phase Transformation and Band-Gap Engineering of Formamidinium Lead Iodide Perovskite Nanocrystals
Hua Zhu, Tong Cai, Meidan Que, et al.
Nature Communications
|
April 10, 2024
Author Correction: High-throughput prediction of protein conformational distributions with subsampled AlphaFold2
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, et al.
Biorxiv : the Preprint Server for Biology
|
August 7, 2023
Predicting Relative Populations of Protein Conformations without a Physics Engine Using AlphaFold 2
Gabriel Monteiro da Silva, Jennifer Y Cui, David C Dalgarno, et al.
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of 4