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Journal of Biomolecular Structure & Dynamics
|
August 7, 2018
Structure investigation, enrichment analysis and structure-based repurposing of FDA-approved drugs as inhibitors of BET-BRD4
Padmaja Wakchaure, Ravichandiran Velayutham, Kuldeep K Roy
Molecular Diversity
|
April 26, 2026
Identification and validation of natural product-based KRAS<sup>G12D</sup> inhibitors through structure-based virtual screening, molecular dynamics simulation, and in vitro studies
Divya Pandey, Shubham Dwivedi, Kuldeep K Roy
Molecular Diversity
|
August 27, 2010
Integration-mediated prediction enrichment of quantitative model for Hsp90 inhibitors as anti-cancer agents: 3D-QSAR study
Kuldeep K Roy, Supriya Singh, Anil K Saxena
Journal of Molecular Graphics & Modelling
|
June 3, 2008
An investigation of structurally diverse carbamates for acetylcholinesterase (AChE) inhibition using 3D-QSAR analysis
Kuldeep K Roy, Anshuman Dixit, Anil K Saxena
Medical & Biological Engineering & Computing
|
October 11, 2021
Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides
Mushtaq Ahmad Wani, Prabha Garg, Kuldeep K Roy
Journal of Biomolecular Structure & Dynamics
|
August 6, 2019
A systematic computational analysis of human matrix metalloproteinase 13 (MMP-13) crystal structures and structure-based identification of prospective drug candidates as MMP-13 inhibitors repurposable for osteoarthritis
Kodidasu Satish Kumar, Ravichandiran Velayutham, Kuldeep K Roy
Bioorganic & Medicinal Chemistry
|
December 17, 2008
Substituted 1,2,3,4-tetrahydroquinolin-6-yloxypropanes as beta3-adrenergic receptor agonists: design, synthesis, biological evaluation and pharmacophore modeling
Neeraj Shakya, Kuldeep K Roy, Anil K Saxena
Journal of Biomolecular Structure & Dynamics
|
January 18, 2019
Negative allosteric modulators of cannabinoid receptor 2: protein modeling, binding site identification and molecular dynamics simulations in the presence of an orthosteric agonist
Pankaj Pandey, Kuldeep K Roy, Robert J Doerksen
Journal of Chemical Information and Modeling
|
July 19, 2011
Profiling the structural determinants for the selectivity of representative factor-Xa and thrombin inhibitors using combined ligand-based and structure-based approaches
Shome S Bhunia, Kuldeep K Roy, Anil K Saxena
Hormones and Behavior
|
November 25, 2025
Deciphering the molecular connections between polycystic ovarian syndrome and autism spectrum disorder using bioinformatic analysis
Himani Nautiyal, Akanksha Jaiswar, Kuldeep K Roy, et al.
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Search research articles
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Showing results (11-20 of 46) with videos related to
Sort By:
Page
of 5
Journal of Biomolecular Structure & Dynamics
|
August 7, 2018
Structure investigation, enrichment analysis and structure-based repurposing of FDA-approved drugs as inhibitors of BET-BRD4
Padmaja Wakchaure, Ravichandiran Velayutham, Kuldeep K Roy
Molecular Diversity
|
April 26, 2026
Identification and validation of natural product-based KRAS<sup>G12D</sup> inhibitors through structure-based virtual screening, molecular dynamics simulation, and in vitro studies
Divya Pandey, Shubham Dwivedi, Kuldeep K Roy
Molecular Diversity
|
August 27, 2010
Integration-mediated prediction enrichment of quantitative model for Hsp90 inhibitors as anti-cancer agents: 3D-QSAR study
Kuldeep K Roy, Supriya Singh, Anil K Saxena
Journal of Molecular Graphics & Modelling
|
June 3, 2008
An investigation of structurally diverse carbamates for acetylcholinesterase (AChE) inhibition using 3D-QSAR analysis
Kuldeep K Roy, Anshuman Dixit, Anil K Saxena
Medical & Biological Engineering & Computing
|
October 11, 2021
Machine learning-enabled predictive modeling to precisely identify the antimicrobial peptides
Mushtaq Ahmad Wani, Prabha Garg, Kuldeep K Roy
Journal of Biomolecular Structure & Dynamics
|
August 6, 2019
A systematic computational analysis of human matrix metalloproteinase 13 (MMP-13) crystal structures and structure-based identification of prospective drug candidates as MMP-13 inhibitors repurposable for osteoarthritis
Kodidasu Satish Kumar, Ravichandiran Velayutham, Kuldeep K Roy
Bioorganic & Medicinal Chemistry
|
December 17, 2008
Substituted 1,2,3,4-tetrahydroquinolin-6-yloxypropanes as beta3-adrenergic receptor agonists: design, synthesis, biological evaluation and pharmacophore modeling
Neeraj Shakya, Kuldeep K Roy, Anil K Saxena
Journal of Biomolecular Structure & Dynamics
|
January 18, 2019
Negative allosteric modulators of cannabinoid receptor 2: protein modeling, binding site identification and molecular dynamics simulations in the presence of an orthosteric agonist
Pankaj Pandey, Kuldeep K Roy, Robert J Doerksen
Journal of Chemical Information and Modeling
|
July 19, 2011
Profiling the structural determinants for the selectivity of representative factor-Xa and thrombin inhibitors using combined ligand-based and structure-based approaches
Shome S Bhunia, Kuldeep K Roy, Anil K Saxena
Hormones and Behavior
|
November 25, 2025
Deciphering the molecular connections between polycystic ovarian syndrome and autism spectrum disorder using bioinformatic analysis
Himani Nautiyal, Akanksha Jaiswar, Kuldeep K Roy, et al.
Page
of 5