VJ
0000-0003-3049-0891 Employment
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Publications (27)
- MolToxPred: small molecule toxicity prediction using machine learning approach Save
- A Deep Dive into the Conformational Dynamics of CYP3A4 : Understanding the Binding of Homotropic and Non-homotropic Ligands for Mitigating Drug-Drug interaction (DDI) Save
- Molecular dynamics of hERG channel: insights into understanding the binding of small molecules for detuning cardiotoxicity Save
- Structural insight into the binding interactions of NTPs and nucleotide analogues to RNA dependent RNA polymerase of SARS-CoV-2 Save
- Understanding the binding affinities between SFRP1 CRD, SFRP1 Netrin, Wnt 5B and frizzled receptors 2, 3 and 7 using MD simulations Save
- A simple methyl substitution of 3-acetylcoumarin thiosemicarbazone enhances cellular autophagy flux, reduces inflammation and ameliorates rough eye phenotype in the Drosophila model of Alzheimer's disease Save
- An insight into the inhibitory mechanism of phytochemicals and FDA-approved drugs on the ACE2–Spike complex of SARS-CoV-2 using computational methods Save
- Destabilization potential of beta sheet breaker peptides on Abeta fibril structure: an insight from molecular dynamics simulation study Save
- Natural plant products as potential inhibitors of RNA dependent RNA polymerase of Severe Acute Respiratory Syndrome Coronavirus-2 Save
- Drug repurposing studies targeting SARS-CoV-2: an ensemble docking approach on drug target 3C-like protease (3CLpro) Save
- Hadoop Spark Based Hydrogen Bond Analysis Tool (H-BAT) for molecular dynamics simulation trajectory data Save
- Remdesivir-bound and ligand-free simulations reveal the probable mechanism of inhibiting the RNA dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2 Save
- Detecting early stage structural changes in wild type, pathogenic and non-pathogenic prion variants using Markov state model Save
- TANGO: A high through-put conformation generation and semiempirical method-based optimization tool for ligand molecules Save
- Turbo Analytics: Applications of Big Data and HPC in Drug Discovery Save
- Acetylcholinesterase and Aβ aggregation inhibition by heterometallic ruthenium(II)-platinum(II) polypyridyl complexes Save
- Biochemical and Biophysical Characterisation of Higher Oligomeric Structure of Rat Nucleosome Assembly Protein 1 Save
- Erratum: Histone isoform H2A1H promotes attainment of distinct physiological states by altering chromatin dynamics(Epigenetics and Chromatin (2017) 10:1 (48) DOI: 10.1186/s13072-017-0155-z) Save
- Histone isoform H2A1H promotes attainment of distinct physiological states by altering chromatin dynamics Save
- Thiosemicarbazone Moiety Assist in Interaction of Planar Aromatic Molecules with Amyloid Beta Peptide and Acetylcholinesterase Save