Shuhua Ma

4PUBLICATIONS
4CO-AUTHORS
Biomolecular modelling and designComputational chemistryHaematological tumours
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Publications (4)

|Jun 15, 2024
QM/MM Simulations of Afatinib-EGFR Addition: The Role of β-Dimethylaminomethyl Substitution.

Shuhua Ma, Heeral Patel, Craig A Peeples

|May 20, 2024
QM/MM simulations of EFGR with afatinib reveal the role of the β-dimethylaminomethyl substitution.

Shuhua Ma, Heeral Patel, Craig A Peeples

|Jul 18, 2023
Quantum Descriptors for Predicting and Understanding the Structure-Activity Relationships of Michael Acceptor Warheads.

Ruibin Liu, Erik A Vázquez-Montelongo, Shuhua Ma

|Jun 08, 2023
Catalytic Mechanism of Human T-Cell Leukemia Virus Type 1 Protease Investigated by Combined QM/MM Molecular Dynamics Simulations.

Natalie Petrillo, Kim Dinh, Kimberly A Vogt

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