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Journal of Biomolecular Structure & Dynamics
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January 10, 2022
QPoweredCompound2DeNovoDrugPropMax - a novel programmatic tool incorporating deep learning and <i>in silico</i> methods for automated in silico bio-activity discovery for any compound of interest
Ben Geoffrey A S, Rafal Madaj, Pavan Preetham Valluri
ACS Omega
|
March 25, 2024
PROTAC-Design-Evaluator (PRODE): An Advanced Method for In-Silico PROTAC Design
Ben Geoffrey A S, Deepak Agrawal, Nagaraj M Kulkarni, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
April 29, 2019
Spectroscopic and quantum/classical mechanics based computational studies to compare the ability of Andrographolide and its derivative to inhibit Nitric Oxide Synthase
Ben Geoffrey A S, Johanan Christian Prasana, S Muthu, et al.
Computational Biology and Chemistry
|
October 13, 2018
Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug
Christina Susan Abraham, S Muthu, Johanan Christian Prasana, et al.
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of 1
Search research articles
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Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Biomolecular Structure & Dynamics
|
January 10, 2022
QPoweredCompound2DeNovoDrugPropMax - a novel programmatic tool incorporating deep learning and <i>in silico</i> methods for automated in silico bio-activity discovery for any compound of interest
Ben Geoffrey A S, Rafal Madaj, Pavan Preetham Valluri
ACS Omega
|
March 25, 2024
PROTAC-Design-Evaluator (PRODE): An Advanced Method for In-Silico PROTAC Design
Ben Geoffrey A S, Deepak Agrawal, Nagaraj M Kulkarni, et al.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
April 29, 2019
Spectroscopic and quantum/classical mechanics based computational studies to compare the ability of Andrographolide and its derivative to inhibit Nitric Oxide Synthase
Ben Geoffrey A S, Johanan Christian Prasana, S Muthu, et al.
Computational Biology and Chemistry
|
October 13, 2018
Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug
Christina Susan Abraham, S Muthu, Johanan Christian Prasana, et al.
Page
of 1