Establishing a new quantum mechanics/molecular mechanics design principle based on electronic-state responses.
Abstract:Professor Hirotoshi Mori (Department of Applied Chemistry, Faculty of Science and Engineering, Chuo University), together with Nichika Ozawa ...
Computational chemistry has evolved into a cornerstone of modern chemical research, bridging stringent quantum mechanical principles with practical numerical simulations to predict and elucidate ...
Strategies for Successful Integration of Computational and Empirical Data for Protein Drug Discovery
Modern protein drug discovery relies on successfully integrating computational predictions and experimental data. As the volume and complexity of both predicted and empirical data continues to grow, ...
Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...
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