Jerome Baudry

发表

STAAR: Statistical analysis of aromatic rings

David D Jenkins, Jason B Harris, Elizabeth E Howell, 2013, J. Comput. Chem..

Accelerating virtual high-throughput ligand docking: screening one million compounds using a petascale supercomputer

Jeremy C. Smith, Sivanesan Dakshanamurthy, Milton Brown, 2012, ECMLS '12.

Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19

Duncan Poole, John A. Gunnels, Arvind Ramanathan, 2020, J. Chem. Inf. Model..

A Combined Chemical-Computational Project

Jerome Baudry, Paul J. Hergenrother, 2005 .

Biasing reaction pathways with mechanical force

Nancy R. Sottos, Scott R. Wilson, Scott R. White, 2007, Nature.

Homology Modeling of the CheW Coupling Protein of the Chemotaxis Signaling Complex

Igor B. Zhulin, Jerome Baudry, Davi R. Ortega, 2013, PloS one.

A phenylalanine rotameric switch for signal-state control in bacterial chemoreceptors

J. S. Parkinson, Jerome Baudry, Davi R Ortega, 2013, Nature Communications.

Polypharmacology and supercomputer-based docking: opportunities and challenges

Sally R. Ellingson, Jeremy C. Smith, Jerome Baudry, 2014 .

A retinoic acid binding cytochrome P450: CYP120A1 from Synechocystis sp. PCC 6803.

Na Ke, Jerome Baudry, J. Baudry, 2005, Archives of biochemistry and biophysics.

Ile115Leu mutation in the SRS1 region of an insect cytochrome P450 (CYP6B1) compromises substrate turnover via changes in a predicted product release channel.

Jerome Baudry, May R Berenbaum, M. Berenbaum, 2005, Protein engineering, design & selection : PEDS.

Efficient calculation of two‐dimensional adiabatic and free energy maps: Application to the isomerization of the C13C14 and C15N16 bonds in the retinal of bacteriorhodopsin

Benoît Roux, Serge Crouzy, Jeremy C. Smith, 1999 .

A survey of aspartate-phenylalanine and glutamate-phenylalanine interactions in the protein data bank: searching for anion-π pairs.

Elizabeth E Howell, Robert J Hinde, Jerome Baudry, 2011, Biochemistry.