Jeffery B. Klauda

According to our database, Jeffery B. Klauda authored at least 9 papers between 2008 and 2022.

Collaborative distances:

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

2022

GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules.

Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks

CoRR, 2022

2021

CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides.

Ya Gao, Jumin Lee, Iain Peter Shand Smith, Hwayoung Lee, Seonghoon Kim, Yifei Qi, Jeffery B. Klauda, Göran Widmalm, Syma Khalid, Wonpil Im

J. Chem. Inf. Model., 2021

A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge.

Mahdi Ghorbani, Phillip S. Hudson, Michael R. Jones, Félix Aviat, Rubén Meana-Pañeda, Jeffery B. Klauda, Bernard R. Brooks

J. Comput. Aided Mol. Des., 2021

Variational embedding of protein folding simulations using gaussian mixture variational autoencoders.

Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks

CoRR, 2021

2019

CHARMM-GUI Nanodisc Builder for modeling and simulation of various nanodisc systems.

Yifei Qi, Jumin Lee, Jeffery B. Klauda, Wonpil Im

J. Comput. Chem., 2019

2014

CHARMM-GUI <i>Membrane Builder</i> toward realistic biological membrane simulations.

Emilia L. Wu, Xi Cheng, Sunhwan Jo, Huan Rui, Kevin C. Song, Eder M. Dávila-Contreras, Yifei Qi, Jumin Lee, Viviana Monje-Galvan, Richard M. Venable, Jeffery B. Klauda, Wonpil Im

J. Comput. Chem., 2014

ST-analyzer: A web-based user interface for simulation trajectory analysis.

Jong Cheol Jeong, Sunhwan Jo, Emilia L. Wu, Yifei Qi, Viviana Monje-Galvan, Min Sun Yeom, Lev Gorenstein, Feng Chen, Jeffery B. Klauda, Wonpil Im

J. Comput. Chem., 2014

2013

CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems.

Xi Cheng, Sunhwan Jo, Hui Sun Lee, Jeffery B. Klauda, Wonpil Im

J. Chem. Inf. Model., 2013

2008

CHARMMing: A New, Flexible Web Portal for CHARMM.

Benjamin T. Miller, Rishi P. Singh, Jeffery B. Klauda, Milan Hodoscek, Bernard R. Brooks, H. Lee Woodcock III

J. Chem. Inf. Model., 2008