Jérôme Baudry

发表

VinaMPI: Facilitating multiple receptor high‐throughput virtual docking on high‐performance computers

Jeremy C. Smith, Sally R. Ellingson, Jérôme Baudry, 2013, J. Comput. Chem..

Efficient calculation of two-dimensional adiabatic and free energy maps: Application to the isomerization of the C13C14 and C15N16 bonds in the retinal of bacteriorhodopsin

Jeremy C. Smith, Benoît Roux, Jérôme Baudry, 1999, J. Comput. Chem..

Accelerating virtual high‐throughput ligand docking: current technology and case study on a petascale supercomputer

Jeremy C. Smith, Sally R. Ellingson, Jérôme Baudry, 2014, Concurr. Comput. Pract. Exp..

Task‐parallel message passing interface implementation of Autodock4 for docking of very large databases of compounds using high‐performance super‐computers

Jeremy C. Smith, Roland Schulz, Jérôme Baudry, 2011, J. Comput. Chem..

Conformational Coupling between Receptor and Kinase Binding Sites through a Conserved Salt Bridge in a Signaling Complex Scaffold Protein

Hongjun Zhou, Igor B. Zhulin, Jérôme Baudry, 2013, PLoS Comput. Biol..

Quantum Chemical and Free Energy Simulation Analysis of Retinal Conformational Energetics

Jeremy C. Smith, Benoît Roux, Jérôme Baudry, 1997, J. Chem. Inf. Comput. Sci..

Determining anion-quadrupole interactions among protein, DNA, and ligand molecules

Robert J. Hinde, David D. Jenkins, Jérôme Baudry, 2011, BMC Bioinformatics.

Discovery of Novel Nonactive Site Inhibitors of the Prothrombinase Enzyme Complex

Jérôme Baudry, Karan Kapoor, Cynthia B. Peterson, 2016, J. Chem. Inf. Model..

Classical force field parameters for the heme prosthetic group of cytochrome c

Zaida Luthey-Schulten, Felix Autenrieth, Jérôme Baudry, 2004, J. Comput. Chem..

High‐throughput virtual molecular docking with AutoDockCloud

Sally R. Ellingson, Jérôme Baudry, 2014, Concurr. Comput. Pract. Exp..