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Journal of the American Society for Mass Spectrometry
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April 4, 2022
<i>In Silico</i> Collision Cross Section Calculations to Aid Metabolite Annotation
Susanta Das, Kiyoto Aramis Tanemura, Laleh Dinpazhoh, et al.
Research Square
|
April 1, 2025
Accurate quantum-centric simulations of supramolecular interactions
Danil Kaliakin, Akhil Shajan, Javier Robledo Moreno, et al.
Journal of Chemical Theory and Computation
|
July 8, 2025
Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding Theory
Akhil Shajan, Danil Kaliakin, Abhishek Mitra, et al.
Communications Physics
|
October 13, 2025
Accurate quantum-centric simulations of intermolecular interactions
Danil Kaliakin, Akhil Shajan, Fangchun Liang, et al.
Journal of Chemical Information and Modeling
|
March 9, 2026
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization
Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder, et al.
Nature Communications
|
July 2, 2025
Cooperative and inhibitory ion transport in functionalized angstrom-scale two-dimensional channels
Mingzhan Wang, Qinsi Xiong, Xiaolin Yue, et al.
Chemical Reviews
|
May 12, 2021
Quantum Chemistry Calculations for Metabolomics
Ricardo M Borges, Sean M Colby, Susanta Das, et al.
Chemical Society Reviews
|
July 2, 2021
A critical overview of computational approaches employed for COVID-19 drug discovery
Eugene N Muratov, Rommie Amaro, Carolina H Andrade, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 1, 2018
Quantum Crystallography: Current Developments and Future Perspectives
Alessandro Genoni, Lukas Bučinský, Nicolas Claiser, et al.
European Journal of Medicinal Chemistry
|
June 19, 2015
Thiosemicarbazones as Aedes aegypti larvicidal
João Bosco P da Silva, Daniela Maria do A F Navarro, Aluizio G da Silva, et al.
Page
of 34
Search research articles
Search
Showing results (241-250 of 332) with videos related to
Sort By:
Page
of 34
Journal of the American Society for Mass Spectrometry
|
April 4, 2022
<i>In Silico</i> Collision Cross Section Calculations to Aid Metabolite Annotation
Susanta Das, Kiyoto Aramis Tanemura, Laleh Dinpazhoh, et al.
Research Square
|
April 1, 2025
Accurate quantum-centric simulations of supramolecular interactions
Danil Kaliakin, Akhil Shajan, Javier Robledo Moreno, et al.
Journal of Chemical Theory and Computation
|
July 8, 2025
Toward Quantum-Centric Simulations of Extended Molecules: Sample-Based Quantum Diagonalization Enhanced with Density Matrix Embedding Theory
Akhil Shajan, Danil Kaliakin, Abhishek Mitra, et al.
Communications Physics
|
October 13, 2025
Accurate quantum-centric simulations of intermolecular interactions
Danil Kaliakin, Akhil Shajan, Fangchun Liang, et al.
Journal of Chemical Information and Modeling
|
March 9, 2026
Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization
Alejandro Blanco-Gonzalez, William Betancourt, Ryan Michael Snyder, et al.
Nature Communications
|
July 2, 2025
Cooperative and inhibitory ion transport in functionalized angstrom-scale two-dimensional channels
Mingzhan Wang, Qinsi Xiong, Xiaolin Yue, et al.
Chemical Reviews
|
May 12, 2021
Quantum Chemistry Calculations for Metabolomics
Ricardo M Borges, Sean M Colby, Susanta Das, et al.
Chemical Society Reviews
|
July 2, 2021
A critical overview of computational approaches employed for COVID-19 drug discovery
Eugene N Muratov, Rommie Amaro, Carolina H Andrade, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
March 1, 2018
Quantum Crystallography: Current Developments and Future Perspectives
Alessandro Genoni, Lukas Bučinský, Nicolas Claiser, et al.
European Journal of Medicinal Chemistry
|
June 19, 2015
Thiosemicarbazones as Aedes aegypti larvicidal
João Bosco P da Silva, Daniela Maria do A F Navarro, Aluizio G da Silva, et al.
Page
of 34