Structure-based virtual screening, molecular dynamics and MM-PBSA/GBSA analysis for the identification of novel CDK6 inhibitors against prostate cancer - Manzoor Ahmad; Muhammad Ajmal Khan; Ashraf Ullah Khan; Sadia Butt; Yahya Khan; Amir Zeb; Nadia Bibi; Aishma Khattak; Hina Ahsan; Ajaz Ahmad; Amin Ullah (In Silico Pharmacology, 2026)