Events

Deep Learning for Multiscale Molecular Modelling

Multiscale Modeling on Metalloenzymes: Insights Beyond Experiments

Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation

Two Interesting Kinetic Isotope Effects in Organic Reactions and Multi-Scale ONIOM Methods

Biomineralization of Hydroxyapatite Assisted by I-type Collagen

Principles Governing Catalytic Activity of Self-Assembled Short Peptides

Electronic Polarization in Macromolecular Structure and Dynamics

Multi-Scale Modeling of Cell Membranes: The Importance of Electrostatic Interactions

Reactive Molecular Dynamics Study of Chemical Reactions at Extreme Conditions

Integrative Structural Modeling of Intrinsically Disordered Proteins

Computational Investigations on Target-Site Searching and Recognition Mechanism

Purely Organic Room-Temperature Phosphorescent Materials: Design and Applications

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