Timothy S. Carpenter

According to our database, Timothy S. Carpenter authored at least 6 papers between 2016 and 2026.

Collaborative distances:

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

2026

Free Energy and Flexibility Analysis of Autoinhibited Human BRAF.

Jeremy O. B. Tempkin, Fikret Aydin, Sebnem Essiz, Yue Yang, Timothy S. Carpenter, David E. Durrant, Deborah K. Morrison, Helgi I. Ingólfsson, Frederick H. Streitz, Dwight V. Nissely, Felice C. Lightstone, Xiaohua Zhang

J. Chem. Inf. Model., 2026

2025

Machine Learning-driven Multiscale MD Workflows: The Mini-MuMMI Experience.

Loïc Pottier, Konstantia Georgouli, Timothy S. Carpenter, Fikret Aydin, Jeremy O. B. Tempkin, Dwight V. Nissley, Frederick H. Streitz, Thomas R. W. Scogland, Peer-Timo Bremer, Felice C. Lightstone, Helgi I. Ingólfsson

CoRR, July, 2025

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

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

2016

An Electrostatic Funnel in the GABA-Binding Pathway.

Timothy S. Carpenter, Felice C. Lightstone

PLoS Comput. Biol., 2016