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Journal of Chemical Information and Modeling
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February 22, 2023
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2
Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson, et al.
Interface Focus
|
December 27, 2021
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers
Agastya P Bhati, Shunzhou Wan, Dario Alfè, et al.
The Journal of Clinical Investigation
|
September 5, 2008
Metabolite profiling of blood from individuals undergoing planned myocardial infarction reveals early markers of myocardial injury
Gregory D Lewis, Ru Wei, Emerson Liu, et al.
Biorxiv : the Preprint Server for Biology
|
November 25, 2020
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics
Lorenzo Casalino, Abigail Dommer, Zied Gaieb, et al.
Journal of Chemical Information and Modeling
|
November 18, 2021
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
Austin Clyde, Stephanie Galanie, Daniel W Kneller, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
September 11, 2020
Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane
Que N Van, Cesar A López, Marco Tonelli, et al.
The International Journal of High Performance Computing Applications
|
April 11, 2024
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
Lorenzo Casalino, Abigail C Dommer, Zied Gaieb, et al.
The International Journal of High Performance Computing Applications
|
March 11, 2024
Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action
Anda Trifan, Defne Gorgun, Michael Salim, et al.
Biorxiv : the Preprint Server for Biology
|
December 1, 2022
GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics
Maxim Zvyagin, Alexander Brace, Kyle Hippe, et al.
Journal of Chemical Theory and Computation
|
April 19, 2023
Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure
Helgi I Ingólfsson, Harsh Bhatia, Fikret Aydin, et al.
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of 14
Search research articles
Search
Showing results (121-130 of 137) with videos related to
Sort By:
Page
of 14
Journal of Chemical Information and Modeling
|
February 22, 2023
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2
Rajendra P Joshi, Katherine J Schultz, Jesse William Wilson, et al.
Interface Focus
|
December 27, 2021
Pandemic drugs at pandemic speed: infrastructure for accelerating COVID-19 drug discovery with hybrid machine learning- and physics-based simulations on high-performance computers
Agastya P Bhati, Shunzhou Wan, Dario Alfè, et al.
The Journal of Clinical Investigation
|
September 5, 2008
Metabolite profiling of blood from individuals undergoing planned myocardial infarction reveals early markers of myocardial injury
Gregory D Lewis, Ru Wei, Emerson Liu, et al.
Biorxiv : the Preprint Server for Biology
|
November 25, 2020
AI-Driven Multiscale Simulations Illuminate Mechanisms of SARS-CoV-2 Spike Dynamics
Lorenzo Casalino, Abigail Dommer, Zied Gaieb, et al.
Journal of Chemical Information and Modeling
|
November 18, 2021
High-Throughput Virtual Screening and Validation of a SARS-CoV-2 Main Protease Noncovalent Inhibitor
Austin Clyde, Stephanie Galanie, Daniel W Kneller, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
September 11, 2020
Uncovering a membrane-distal conformation of KRAS available to recruit RAF to the plasma membrane
Que N Van, Cesar A López, Marco Tonelli, et al.
The International Journal of High Performance Computing Applications
|
April 11, 2024
AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics
Lorenzo Casalino, Abigail C Dommer, Zied Gaieb, et al.
The International Journal of High Performance Computing Applications
|
March 11, 2024
Intelligent resolution: Integrating Cryo-EM with AI-driven multi-resolution simulations to observe the severe acute respiratory syndrome coronavirus-2 replication-transcription machinery in action
Anda Trifan, Defne Gorgun, Michael Salim, et al.
Biorxiv : the Preprint Server for Biology
|
December 1, 2022
GenSLMs: Genome-scale language models reveal SARS-CoV-2 evolutionary dynamics
Maxim Zvyagin, Alexander Brace, Kyle Hippe, et al.
Journal of Chemical Theory and Computation
|
April 19, 2023
Machine Learning-Driven Multiscale Modeling: Bridging the Scales with a Next-Generation Simulation Infrastructure
Helgi I Ingólfsson, Harsh Bhatia, Fikret Aydin, et al.
Page
of 14