Structure-based discovery of novel ROCK2 inhibitors using integrated virtual screening, molecular dynamics, metadynamics and absolute binding free energy calculations.
- DOI
- 10.1007/s40203-026-00714-4
- Published
- 2026
- Container
- In silico pharmacology
- Publisher
- Not recorded
- Open access
- yes
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limited evidence Score 45/100 under policy 1.0.0. This is a metadata assessment, not a judgment of the paper's conclusions.
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Cite this work
BibTeX
@article{allodium:10.1007/s40203-026-00714-4,
title = {Structure-based discovery of novel ROCK2 inhibitors using integrated virtual screening, molecular dynamics, metadynamics and absolute binding free energy calculations.},
author = {Gupta SRR and Rameshwari R and Singh IK and Rustagi V},
year = {2026},
journal = {In silico pharmacology},
doi = {10.1007/s40203-026-00714-4},
url = {https://doi.org/10.1007/s40203-026-00714-4}
}RIS
TY - JOUR TI - Structure-based discovery of novel ROCK2 inhibitors using integrated virtual screening, molecular dynamics, metadynamics and absolute binding free energy calculations. AU - Gupta SRR AU - Rameshwari R AU - Singh IK AU - Rustagi V PY - 2026 JO - In silico pharmacology DO - 10.1007/s40203-026-00714-4 UR - https://doi.org/10.1007/s40203-026-00714-4 ER -
APA
SRR, G., R, R., IK, S., & V, R. (2026). Structure-based discovery of novel ROCK2 inhibitors using integrated virtual screening, molecular dynamics, metadynamics and absolute binding free energy calculations.. In silico pharmacology. https://doi.org/10.1007/s40203-026-00714-4
Source records
- pubmed · retrieved 2026-09-26T17:07:31.033Z