Kyle Marshall

Calcium/calmodulin stimulates the autophosphorylation of elongation factor 2 kinase on Thr-348 and Ser-500 to regulate its activity and calcium dependence.

Kevin S. Shores, J. Brodbelt, T. Kaoud, 2012, Biochemistry.

The Role of Bridging Water and Hydrogen Bonding as Key Determinants of Noncovalent Protein–Carbohydrate Recognition

Matthew P. Repasky, H. Matter, G. Hessler, 2018, ChemMedChem.

Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization

Phani Ghanakota, Robert Abel, K. Leswing, 2020, J. Chem. Inf. Model..

De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen: Part 2.

M. Halls, K. Leswing, A. Goldberg, 2022, The journal of physical chemistry. A.

Investigating the kinetic mechanism of inhibition of elongation factor 2 kinase by NH125: evidence of a common in vitro artifact.

T. Kaoud, K. Dalby, B. Ozpolat, 2012, Biochemistry.

The structure-based design, synthesis and biological evaluation of DNA-binding bisintercalating bisanthrapyrazole anticancer compounds.

Frank S. Guziec, Hong Liang, B. Hasinoff, 2008, Bioorganic & medicinal chemistry.

De Novo Design of Molecules with Low Hole Reorganization Energy Based on a Quarter-Million Molecule DFT Screen.

M. Halls, E. Fujii, K. Leswing, 2021, The journal of physical chemistry. A.

Molecular Structure Extraction From Documents Using Deep Learning

Robert Abel, Kyle Marshall, Joshua Staker, 2018, J. Chem. Inf. Model..