João Marcelo Lamim Ribeiro

Past–future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics

Yihang Wang, João Marcelo Lamim Ribeiro, Pratyush Tiwary · Nature Communications · 2019 · 186 citations · Full text

Natural Sciences, Chemistry, Chemical Kinetics +16

Toward Achieving Efficient and Accurate Ligand-Protein Unbinding with Deep Learning and Molecular Dynamics through RAVE

João Marcelo Lamim Ribeiro, Pratyush Tiwary · Journal of Chemical Theory and Computation · 2018 · 77 citations

Natural Sciences, Biophysics, Chemistry +17

A combination of machine learning and infrequent metadynamics to efficiently predict kinetic rates, transition states, and molecular determinants of drug dissociation from G protein-coupled receptors

João Marcelo Lamim Ribeiro, Davide Provasi, Marta Filizola · The Journal of Chemical Physics · 2020 · 51 citations · Full text

Medicine, Medicinal Chemistry, Pharmacology +17

Combined Experimental and Computational Study on the Unimolecular Decomposition of JP-8 Jet Fuel Surrogates. I. <i>n</i>-Decane (<i>n</i>-C₁₀H₂₂)

Long Zhao, Tao Yang, Ralf I. Kaiser et al. · The Journal of Physical Chemistry A · 2017 · 41 citations · Full text

Engineering, Chemical Engineering, Chemistry +16

Reaction Mechanism and Product Branching Ratios of the CH + C₃H₆ Reaction: A Theoretical Study

João Marcelo Lamim Ribeiro, Alexander M. Mebel · The Journal of Physical Chemistry A · 2016 · 33 citations

Natural Sciences, Chemistry, Physics +17