Rocío Mercado
Chalmers University of Technology(SE)University of Gothenburg(SE)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Machine Learning in Materials Science, Protein Degradation and Inhibitors, Protein Structure and Dynamics, Metal-Organic Frameworks: Synthesis and Applications
Most-Cited Works
- → Molecular representations in AI-driven drug discovery: a review and practical guide(2020)548 cited
- → The materials genome in action: identifying the performance limits for methane storage(2015)378 cited
- → What Are the Best Materials To Separate a Xenon/Krypton Mixture?(2015)279 cited
- → Systematic Tuning and Multifunctionalization of Covalent Organic Polymers for Enhanced Carbon Capture(2015)233 cited
- → In Silico Design of 2D and 3D Covalent Organic Frameworks for Methane Storage Applications(2018)173 cited
- → Graph networks for molecular design(2020)141 cited
- → Force Field Development from Periodic Density Functional Theory Calculations for Gas Separation Applications Using Metal–Organic Frameworks(2016)118 cited
- → Generating carbon schwarzites via zeolite-templating(2018)114 cited
- → De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models(2022)100 cited
- → Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal–Organic Framework Zn2(dobpdc)(2018)91 cited