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August 27, 2022
N-glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study
Alen T Mathew, Anurag T K Baidya, Bhanuranjan Das, et al.
Journal of Biomolecular Structure & Dynamics
|
September 14, 2021
Structure-based virtual screening and molecular dynamics simulation for the identification of sphingosine kinase-2 inhibitors as potential analgesics
Akhilesh, Anurag T K Baidya, Ankit Uniyal, et al.
ACS Omega
|
September 9, 2024
Repurposing Duloxetine as a Potent Butyrylcholinesterase Inhibitor: Potential Cholinergic Enhancing Benefits for Elderly Individuals with Depression and Cognitive Impairment
Taher Darreh-Shori, Anurag T K Baidya, Medea Brouwer, et al.
International Journal of Molecular Sciences
|
January 8, 2025
Micellar Choline-Acetyltransferase Complexes Exhibit Ultra-Boosted Catalytic Rate for Acetylcholine Synthesis-Mechanistic Insights for Development of Acetylcholine-Enhancing Micellar Nanotherapeutics
Davide Dante, Jatin Jangra, Anurag T K Baidya, et al.
Toxicology Mechanisms and Methods
|
December 27, 2019
Identification of structural fingerprints for <i>in vivo</i> toxicity by using Monte Carlo based QSTR modeling of nitroaromatics
Dipayan Mondal, Kalyan Ghosh, Anurag T K Baidya, et al.
Bioorganic & Medicinal Chemistry
|
January 16, 2022
Structural modification aimed for improving solubility of lead compounds in early phase drug discovery
Bhanuranjan Das, Anurag T K Baidya, Alen T Mathew, et al.
ACS Chemical Neuroscience
|
October 31, 2024
AI-Enabled Ultra-large Virtual Screening Identifies Potential Inhibitors of Choline Acetyltransferase for Theranostic Purposes
Anurag T K Baidya, Abhinav Kumar Goswami, Bhanuranjan Das, et al.
Journal of Biomolecular Structure & Dynamics
|
May 12, 2025
Computational exploration of <i>TITIN</i> variations: insights from whole exome sequencing and molecular dynamics simulation study
Amrita Mukhopadhyay, Bharti Devi, Anurag T K Baidya, et al.
Molecular Diversity
|
April 6, 2023
Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study
Bhanuranjan Das, Alen T Mathew, Anurag T K Baidya, et al.
Molecular Diversity
|
October 21, 2021
Urea-thiazole/benzothiazole hybrids with a triazole linker: synthesis, antimicrobial potential, pharmacokinetic profile and in silico mechanistic studies
Nisha Poonia, Kashmiri Lal, Ashwani Kumar, et al.
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Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Proteins
|
August 27, 2022
N-glycosylation induced changes in tau protein dynamics reveal its role in tau misfolding and aggregation: A microsecond long molecular dynamics study
Alen T Mathew, Anurag T K Baidya, Bhanuranjan Das, et al.
Journal of Biomolecular Structure & Dynamics
|
September 14, 2021
Structure-based virtual screening and molecular dynamics simulation for the identification of sphingosine kinase-2 inhibitors as potential analgesics
Akhilesh, Anurag T K Baidya, Ankit Uniyal, et al.
ACS Omega
|
September 9, 2024
Repurposing Duloxetine as a Potent Butyrylcholinesterase Inhibitor: Potential Cholinergic Enhancing Benefits for Elderly Individuals with Depression and Cognitive Impairment
Taher Darreh-Shori, Anurag T K Baidya, Medea Brouwer, et al.
International Journal of Molecular Sciences
|
January 8, 2025
Micellar Choline-Acetyltransferase Complexes Exhibit Ultra-Boosted Catalytic Rate for Acetylcholine Synthesis-Mechanistic Insights for Development of Acetylcholine-Enhancing Micellar Nanotherapeutics
Davide Dante, Jatin Jangra, Anurag T K Baidya, et al.
Toxicology Mechanisms and Methods
|
December 27, 2019
Identification of structural fingerprints for <i>in vivo</i> toxicity by using Monte Carlo based QSTR modeling of nitroaromatics
Dipayan Mondal, Kalyan Ghosh, Anurag T K Baidya, et al.
Bioorganic & Medicinal Chemistry
|
January 16, 2022
Structural modification aimed for improving solubility of lead compounds in early phase drug discovery
Bhanuranjan Das, Anurag T K Baidya, Alen T Mathew, et al.
ACS Chemical Neuroscience
|
October 31, 2024
AI-Enabled Ultra-large Virtual Screening Identifies Potential Inhibitors of Choline Acetyltransferase for Theranostic Purposes
Anurag T K Baidya, Abhinav Kumar Goswami, Bhanuranjan Das, et al.
Journal of Biomolecular Structure & Dynamics
|
May 12, 2025
Computational exploration of <i>TITIN</i> variations: insights from whole exome sequencing and molecular dynamics simulation study
Amrita Mukhopadhyay, Bharti Devi, Anurag T K Baidya, et al.
Molecular Diversity
|
April 6, 2023
Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study
Bhanuranjan Das, Alen T Mathew, Anurag T K Baidya, et al.
Molecular Diversity
|
October 21, 2021
Urea-thiazole/benzothiazole hybrids with a triazole linker: synthesis, antimicrobial potential, pharmacokinetic profile and in silico mechanistic studies
Nisha Poonia, Kashmiri Lal, Ashwani Kumar, et al.
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of 2