Jérôme Baudry

According to our database, Jérôme Baudry authored at least 15 papers between 1997 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

Wavelet-based Spectral Analysis For Protein Conformation Selection and Prediction Using AI in Drug Discovery Applications.

Shivangi Gupta, Vineetha Menon, Jérôme Baudry

Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2022

2021

The Convergence of HPC, AI and Big Data in Rapid-Response to the COVID-19 Pandemic.

Sreenivas R. Sukumar, Jacob A. Balma, Christopher D. Rickett, Kristyn J. Maschhoff, Joseph Landman, Charles R. Yates, Amar G. Chittiboyina, Yuri K. Peterson, Aaron Vose, Kendall G. Byler, Jérôme Baudry, Ikhlas A. Khan

Proceedings of the Driving Scientific and Engineering Discoveries Through the Integration of Experiment, Big Data, and Modeling and Simulation, 2021

2020

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

Atanu Acharya, Rupesh Agarwal, Matthew B. Baker, Jérôme Baudry, Debsindhu Bhowmik, Swen Böhm, Kendall G. Byler, Sam Yen-Chi Chen, Leighton Coates, Connor J. Cooper, Omar Demerdash, Isabella Daidone, John D. Eblen, Sally R. Ellingson, Stefano Forli, Jens Glaser, James C. Gumbart, John Gunnels, Oscar R. Hernandez, Stephan Irle, Daniel W. Kneller, Andrey Kovalevsky, Jeffrey M. Larkin, Travis J. Lawrence, Scott LeGrand, Shih-Hsien Liu, Julie C. Mitchell, Gilchan Park, Jerry M. Parks, Anna Pavlova, Loukas Petridis, Duncan Poole, Line Pouchard, Arvind Ramanathan, David M. Rogers, Diogo Santos-Martins, Aaron Scheinberg, Ada Sedova, Yue Shen, Jeremy C. Smith, Micholas Dean Smith, Carlos Soto, Aristides Tsaris, Mathialakan Thavappiragasam, Andreas F. Tillack, Josh Vincent Vermaas, Van Quan Vuong, Junqi Yin, Shinjae Yoo, Mai Zahran, Laura Zanetti Polzi

J. Chem. Inf. Model., 2020

2019

Novel K-Means Clustering-based Undersampling and Feature Selection for Drug Discovery Applications.

Vishnu Sripriya Akondi, Vineetha Menon, Jérôme Baudry, Jana Whittle

Proceedings of the 2019 IEEE International Conference on Bioinformatics and Biomedicine, 2019

2016

Discovery of Novel Nonactive Site Inhibitors of the Prothrombinase Enzyme Complex.

Karan Kapoor, Nicole McGill, Cynthia B. Peterson, Harold V. Meyers, Michael N. Blackburn, Jérôme Baudry

J. Chem. Inf. Model., 2016

2014

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

Sally R. Ellingson, Dakshanamurthy Sivanesan, Milton Brown, Jeremy C. Smith, Jérôme Baudry

Concurr. Comput. Pract. Exp., 2014

High-throughput virtual molecular docking with AutoDockCloud.

Sally R. Ellingson, Jérôme Baudry

Concurr. Comput. Pract. Exp., 2014

2013

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

Davi R. Ortega, Guoya Mo, Kwangwoon Lee, Hongjun Zhou, Jérôme Baudry, Frederick W. Dahlquist, Igor B. Zhulin

PLoS Comput. Biol., 2013

STAAR: Statistical analysis of aromatic rings.

David D. Jenkins, Jason B. Harris, Elizabeth E. Howell, Robert J. Hinde, Jérôme Baudry

J. Comput. Chem., 2013

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

Sally R. Ellingson, Jeremy C. Smith, Jérôme Baudry

J. Comput. Chem., 2013

2011

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

Barbara Collignon, Roland Schulz, Jeremy C. Smith, Jérôme Baudry

J. Comput. Chem., 2011

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

Jason B. Harris, David D. Jenkins, Jonathan Reyles, Stephanie Rickett, Jordan M. Utley, Elizabeth E. Howell, Jérôme Baudry, Robert J. Hinde

BMC Bioinform., 2011

2004

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

Felix Autenrieth, Emad Tajkhorshid, Jérôme Baudry, Zaida Luthey-Schulten

J. Comput. Chem., 2004

1999

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.

Serge Crouzy, Jérôme Baudry, Jeremy C. Smith, Benoît Roux

J. Comput. Chem., 1999

1997

Quantum Chemical and Free Energy Simulation Analysis of Retinal Conformational Energetics.

Jérôme Baudry, Serge Crouzy, Benoît Roux, Jeremy C. Smith

J. Chem. Inf. Comput. Sci., 1997