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Structure-based discovery of novel ROCK2 inhibitors using integrated virtual screening, molecular dynamics, metadynamics and absolute binding free energy calculations

Shradheya R. R. Gupta; Rashmi Rameshwari; Indrakant K. Singh; Vanshika Rustagi
In Silico Pharmacology · Vol. 14, Issue 3 · 2026
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Abstract

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Bibliographic Information

JournalIn Silico Pharmacology
PublisherSpringer
Publication Date2026-08-18
Publication Year2026
Volume14
Issue3
Document TypeJournal Article
eISSN2193-9616
DOI10.1007/s40203-026-00714-4

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NARA Access Coverage2013-01-01~Current
Journal Homepagehttps://www.springer.com/journal/40203
Publisher PageOpen Publisher Page
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