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Biorxiv : the Preprint Server for Biology
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July 29, 2024
AQuaRef: Machine learning accelerated quantum refinement of protein structures
Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Journal of Chemical Theory and Computation
|
January 25, 2024
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, et al.
Chemical Society Reviews
|
May 23, 2020
Correction: QSAR without borders
Eugene N Muratov, Jürgen Bajorath, Robert P Sheridan, et al.
Chemical Society Reviews
|
May 2, 2020
QSAR without borders
Eugene N Muratov, Jürgen Bajorath, Robert P Sheridan, 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.
Journal of Chemical Information and Modeling
|
May 26, 2025
Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities
Filipp Gusev, Evgeny Gutkin, Francesco Gentile, et al.
Nature Communications
|
June 4, 2021
Crowdsourced mapping of unexplored target space of kinase inhibitors
Anna Cichońska, Balaguru Ravikumar, Robert J Allaway, et al.
IEEE Internet of Things Journal
|
July 5, 2022
Harnessing the Power of Smart and Connected Health to Tackle COVID-19: IoT, AI, Robotics, and Blockchain for a Better World
Farshad Firouzi, Bahar Farahani, Mahmoud Daneshmand, et al.
Journal of Chemical Theory and Computation
|
April 23, 2026
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry
Rommie E Amaro, Victor Batista, Jochen Blumberger, et al.
Journal of Chemical Information and Modeling
|
November 5, 2024
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein
Fengling Li, Suzanne Ackloo, Cheryl H Arrowsmith, et al.
Page
of 10
Search research articles
Search
Showing results (81-90 of 93) with videos related to
Sort By:
Page
of 10
Biorxiv : the Preprint Server for Biology
|
July 29, 2024
AQuaRef: Machine learning accelerated quantum refinement of protein structures
Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe, et al.
Journal of Chemical Theory and Computation
|
January 25, 2024
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, et al.
Chemical Society Reviews
|
May 23, 2020
Correction: QSAR without borders
Eugene N Muratov, Jürgen Bajorath, Robert P Sheridan, et al.
Chemical Society Reviews
|
May 2, 2020
QSAR without borders
Eugene N Muratov, Jürgen Bajorath, Robert P Sheridan, 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.
Journal of Chemical Information and Modeling
|
May 26, 2025
Active Learning-Guided Hit Optimization for the Leucine-Rich Repeat Kinase 2 WDR Domain Based on In Silico Ligand-Binding Affinities
Filipp Gusev, Evgeny Gutkin, Francesco Gentile, et al.
Nature Communications
|
June 4, 2021
Crowdsourced mapping of unexplored target space of kinase inhibitors
Anna Cichońska, Balaguru Ravikumar, Robert J Allaway, et al.
IEEE Internet of Things Journal
|
July 5, 2022
Harnessing the Power of Smart and Connected Health to Tackle COVID-19: IoT, AI, Robotics, and Blockchain for a Better World
Farshad Firouzi, Bahar Farahani, Mahmoud Daneshmand, et al.
Journal of Chemical Theory and Computation
|
April 23, 2026
Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry
Rommie E Amaro, Victor Batista, Jochen Blumberger, et al.
Journal of Chemical Information and Modeling
|
November 5, 2024
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson's Disease Associated Protein
Fengling Li, Suzanne Ackloo, Cheryl H Arrowsmith, et al.
Page
of 10