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Exploration of Novel Inhibitors for Bruton’s Tyrosine Kinase by 3D QSAR Modeling and Molecular Dynamics Simulation

Multidisciplinary

English

Quantitative Structure-Activity Relationship and Molecular Docking Revealed a Potency of Anti-Hepatitis C Virus Drugs Against Human Corona Viruses

Journal of Medical Virology

Infectious Diseases

English

Discovery and Evaluation of Potential Sonic Hedgehog Signaling Pathway Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations

Journal of Bioinformatics and Computational Biology

Computer Science Applications

Molecular Biology

English

Molecular Modeling of Quinoline-Based Compounds as Potential Dual Inhibitors of Reverse Transcriptase and Integrase of HIV

Computational Molecular Bioscience

English

RNAi-based Small Molecule Repositioning Reveals Clinically Approved Urea-Based Kinase Inhibitors as Broadly Active Antivirals

Molecular Biology

English

Synthesis, Biological Activity, and Molecular Modeling Studies of Pyrazole and Triazole Derivatives as Selective COX-2 Inhibitors

Journal of Chemistry

English

Molecular Docking Studies of Some Novel Fluoroquinolone Derivatives

English

Molecular Docking, Pharmacokinetic, and DFT Calculation of Naproxen and Its Degradants

Biomedical Journal of Scientific & Technical Research

English

Characterization of Monoclonal Antibody–Protein Antigen Complexes Using Small-Angle Scattering and Molecular Modeling

English

Molecular Characterization of Mutations That Cause Globoid Cell Leukodystrophy and Pharmacological Rescue Using Small Molecule Chemical Chaperones

Journal of Neuroscience

English