Harder, better, faster, stronger: Large-scale QM and QM/MM for predictive modeling in enzymes and proteins
V Vennelakanti, A Nazemi, R Mehmood… - Current opinion in …, 2022 - Elsevier
Computational prediction of enzyme mechanism and protein function requires accurate
physics-based models and suitable sampling. We discuss recent advances in large-scale …
physics-based models and suitable sampling. We discuss recent advances in large-scale …
New classifications for quantum bioinformatics: Q-bioinformatics, QCt-bioinformatics, QCg-bioinformatics, and QCr-bioinformatics
Bioinformatics has revolutionized biology and medicine by using computational methods to
analyze and interpret biological data. Quantum mechanics has recently emerged as a …
analyze and interpret biological data. Quantum mechanics has recently emerged as a …