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WebApr 4, 2024 · The phenomenon is well supported by TD-DFT calculation. Moreover, the substrate (PM-OAc) binding at the active site of esterase and its catalytic mechanism to hydrolyze the ester bond are elucidated by molecular dynamics (MD) simulation and QM/MM (Quantum mechanics/molecular mechanics) calculations, respectively. WebApr 15, 2024 · Open Library OL47415037M ISBN 10 9877790157 ISBN 13 9789877790153 Community Reviews (0) Feedback? No community reviews have been submitted for this work. + Log in to add your community review. Lists containing this Book. Loading Related Books. History Created 4 minutes ago; 1 revision; duja bodrum otel
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