Robert S. Paton

发表

GoodVibes: automated thermochemistry for heterogeneous computational chemistry data

Guilian Luchini, Juan V. Alegre-Requena, Ignacio Funes-Ardoiz, 2020, F1000Research.

Exploration of the Accessible Chemical Space of Acyclic Alkanes

Jonathan M. Goodman, Robert S. Paton, J. Goodman, 2007, J. Chem. Inf. Model..

Ligand Design for Asymmetric Catalysis: Combining Mechanistic and Chemoinformatics Approaches

Robert S. Paton, Ruchuta Ardkhean, Stephen P. Fletcher, 2020 .

Hydrogen Bonding and π-Stacking: How Reliable are Force Fields? A Critical Evaluation of Force Field Descriptions of Nonbonded Interactions

Jonathan M. Goodman, Robert S. Paton, J. Goodman, 2009, J. Chem. Inf. Model..

Real-time Prediction of 1H and 13C Chemical Shifts with DFT accuracy using a 3D Graph Neural Network

Robert S. Paton, Peter C. St. John, Yanfei Guan, 2021 .

Post-translational site-selective protein backbone α-deuteration

Elisabete Pires, Vijay Chudasama, Benjamin G. Davis, 2018, Nature Chemical Biology.

Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C-H Activation Reactions: An Experimental and Computational Study.

Robert S. Paton, Christopher D. Rithner, R. Paton, 2017, Journal of the American Chemical Society.

Unconventional Reactivity of Ethynylbenziodoxolone (EBX) Reagents and Thiols: Scope and Mechanism.

Bin Liu, Robert S. Paton, B. Liu, 2020, Chemistry.

Fundamental principles of epidemic spread highlight the immediate need for large-scale serological surveys to assess the stage of the SARS-CoV-2 epidemic

Mahan Ghafari, José Lourenço, Robert S. Paton, 2020, medRxiv.

Computing Organic Stereoselectivity — From Concepts to Quantitative Calculations and Predictions

Qian Peng, Robert S. Paton, Fernanda Duarte, 2016 .