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List of works by John C Faver

Bringing Clarity to the Prediction of Protein-Ligand Binding Free Energies via "Blurring"

scientific article

Computationally-guided optimization of small-molecule inhibitors of the Aurora A kinase-TPX2 protein-protein interaction

scientific article published on 8 August 2017

Computer-aided Drug Design: Using Numbers to your Advantage

scientific article published on September 2013

Discovery of potent thrombin inhibitors from a protease-focused DNA-encoded chemical library

scientific article published on 08 July 2020

Formal Estimation of Errors in Computed Absolute Interaction Energies of Protein-ligand Complexes

scientific article

Fragment-based error estimation in biomolecular modeling.

scientific article published on 27 August 2013

Model for the fast estimation of basis set superposition error in biomolecular systems ⬇️

scientific article published on October 14, 2011

Pairwise additivity of energy components in protein-ligand binding: the HIV II protease-Indinavir case.

scientific article

Palladium-Catalyzed Hydroxycarbonylation of (Hetero)aryl Halides for DNA-Encoded Chemical Library Synthesis

scientific article published on 31 July 2019

Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores

scientific article published on 4 April 2012

Quantitative Comparison of Enrichment from DNA-Encoded Chemical Library Selections

scientific article published on 23 January 2019

Statistics-based model for basis set superposition error correction in large biomolecules

scientific article published on 29 February 2012

The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions.

scientific article published in October 2017

The Effects of Computational Modeling Errors on the Estimation of Statistical Mechanical Variables.

scientific article published on 12 March 2012

The energy computation paradox and ab initio protein folding

scientific article

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