Chris Neale

According to our database, Chris Neale authored at least 8 papers between 2013 and 2023.

Collaborative distances:

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

2023

GAP positions catalytic H-Ras residue Q61 for GTP hydrolysis in molecular dynamics simulations, complicating chemical rescue of Ras deactivation.

Lara A. Patel, Timothy J. Waybright, Andrew G. Stephen, Chris Neale

Comput. Biol. Chem., June, 2023

2021

Machine-learning-based dynamic-importance sampling for adaptive multiscale simulations.

Harsh Bhatia, Timothy S. Carpenter, Helgi I. Ingólfsson, Gautham Dharuman, Piyush Karande, Shusen Liu, Tomas Oppelstrup, Chris Neale, Felice C. Lightstone, Brian Van Essen, James N. Glosli, Peer-Timo Bremer

Nat. Mach. Intell., 2021

The RIT1 C-terminus associates with lipid bilayers via charge complementarity.

Amy D. Migliori, Lara A. Patel, Chris Neale

Comput. Biol. Chem., 2021

Generalizable coordination of large multiscale workflows: challenges and learnings at scale.

Harsh Bhatia, Francesco Di Natale, Joseph Y. Moon, Xiaohua Zhang, Joseph R. Chavez, Fikret Aydin, Christopher B. Stanley, Tomas Oppelstrup, Chris Neale, Sara Kokkila Schumacher, Dong H. Ahn, Stephen Herbein, Timothy S. Carpenter, Sandrasegaram Gnanakaran, Peer-Timo Bremer, James N. Glosli, Felice C. Lightstone, Helgi I. Ingólfsson

Proceedings of the International Conference for High Performance Computing, 2021

2019

A massively parallel infrastructure for adaptive multiscale simulations: modeling RAS initiation pathway for cancer.

Francesco Di Natale, Harsh Bhatia, Timothy S. Carpenter, Chris Neale, Sara Kokkila Schumacher, Tomas Oppelstrup, Liam Stanton, Xiaohua Zhang, Shiv Sundram, Thomas R. W. Scogland, Gautham Dharuman, Michael P. Surh, Yue Yang, Claudia Misale, Lars Schneidenbach, Carlos H. A. Costa, Changhoan Kim, Bruce D'Amora, Sandrasegaram Gnanakaran, Dwight V. Nissley, Frederick H. Streitz, Felice C. Lightstone, Peer-Timo Bremer, James N. Glosli, Helgi I. Ingólfsson

Proceedings of the International Conference for High Performance Computing, 2019

2017

Molecular recognition and packing frustration in a helical protein.

Loan Huynh, Chris Neale, Régis Pomès, Hue Sun Chan

PLoS Comput. Biol., 2017

2015

Hydrophobic Gating of Ion Permeation in Magnesium Channel CorA.

Chris Neale, Nilmadhab Chakrabarti, Pawel Pomorski, Emil F. Pai, Régis Pomès

PLoS Comput. Biol., 2015

2013

Characterization of disordered proteins with ENSEMBLE.

Mickaël Krzeminski, Joseph A. Marsh, Chris Neale, Wing-Yiu Choy, Julie D. Forman-Kay

Bioinform., 2013