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Journal of Computational Chemistry
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June 22, 2023
GUIDE: A GUI for automated quantum chemistry calculations
Arkadeep Sarkar, Lucia Sessa, Francesco Marrafino, et al.
Computational Biology and Chemistry
|
May 20, 2026
Conserved hydrophobic gatekeeper mechanisms in COX-1-like pockets revealed by AI-driven pocket similarity and molecular dynamics simulations of mofezolac
Aimen K Aljoundi, Lucia Sessa, Arkadeep Sarkar, et al.
Pharmaceutical Chemistry Journal
|
August 24, 2021
Structure-Based Virtual Screening and Molecular Dynamics Simulation to Identify Potential SARS-CoV-2 Spike Receptor Inhibitors from Natural Compound Database
Arkadeep Sarkar, Debanjan Sen, Ashutosh Sharma, et al.
Bioinformatics (Oxford, England)
|
August 23, 2022
YAMACS: a graphical interface for GROMACS
Arkadeep Sarkar, Jacopo Santoro, Luigi Di Biasi, et al.
Computational Biology and Chemistry
|
July 31, 2023
Theoretical investigation of hydroxylated analogues of valinomycin as potassium transporter
Lucia Sessa, Simona Concilio, Francesco Marrafino, et al.
Critical Reviews in Therapeutic Drug Carrier Systems
|
August 4, 2021
COVID-19 Infection: Targeting Possibilities for Treatment
Tanweer Haider, Vishal Gour, Vikas Pandey, 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 Computational Chemistry
|
June 22, 2023
GUIDE: A GUI for automated quantum chemistry calculations
Arkadeep Sarkar, Lucia Sessa, Francesco Marrafino, et al.
Computational Biology and Chemistry
|
May 20, 2026
Conserved hydrophobic gatekeeper mechanisms in COX-1-like pockets revealed by AI-driven pocket similarity and molecular dynamics simulations of mofezolac
Aimen K Aljoundi, Lucia Sessa, Arkadeep Sarkar, et al.
Pharmaceutical Chemistry Journal
|
August 24, 2021
Structure-Based Virtual Screening and Molecular Dynamics Simulation to Identify Potential SARS-CoV-2 Spike Receptor Inhibitors from Natural Compound Database
Arkadeep Sarkar, Debanjan Sen, Ashutosh Sharma, et al.
Bioinformatics (Oxford, England)
|
August 23, 2022
YAMACS: a graphical interface for GROMACS
Arkadeep Sarkar, Jacopo Santoro, Luigi Di Biasi, et al.
Computational Biology and Chemistry
|
July 31, 2023
Theoretical investigation of hydroxylated analogues of valinomycin as potassium transporter
Lucia Sessa, Simona Concilio, Francesco Marrafino, et al.
Critical Reviews in Therapeutic Drug Carrier Systems
|
August 4, 2021
COVID-19 Infection: Targeting Possibilities for Treatment
Tanweer Haider, Vishal Gour, Vikas Pandey, et al.
Page
of 1