Jeffery B. Klauda

Publication Activity (10 Years)

Years Active: 2008-2022
Publications (10 Years): 5

Top Topics

Gaussian Mixture

Mathematical Models

Complex Systems

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks
GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules. CoRR (2022)
Mahdi Ghorbani, Phillip S. Hudson, Michael R. Jones, Félix Aviat, Rubén Meana-Pañeda, Jeffery B. Klauda, Bernard R. Brooks
A replica exchange umbrella sampling (REUS) approach to predict host-guest binding free energies in SAMPL8 challenge. J. Comput. Aided Mol. Des. 35 (5) (2021)
Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks
Variational embedding of protein folding simulations using gaussian mixture variational autoencoders. CoRR (2021)
Ya Gao, Jumin Lee, Iain Peter Shand Smith, Hwayoung Lee, Seonghoon Kim, Yifei Qi, Jeffery B. Klauda, Göran Widmalm, Syma Khalid, Wonpil Im
CHARMM-GUI Supports Hydrogen Mass Repartitioning and Different Protonation States of Phosphates in Lipopolysaccharides. J. Chem. Inf. Model. 61 (2) (2021)
Yifei Qi, Jumin Lee, Jeffery B. Klauda, Wonpil Im
CHARMM-GUI Nanodisc Builder for modeling and simulation of various nanodisc systems. J. Comput. Chem. 40 (7) (2019)
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
toward realistic biological membrane simulations. J. Comput. Chem. 35 (27) (2014)
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
ST-analyzer: A web-based user interface for simulation trajectory analysis. J. Comput. Chem. 35 (12) (2014)
Xi Cheng, Sunhwan Jo, Hui Sun Lee, Jeffery B. Klauda, Wonpil Im
CHARMM-GUI Micelle Builder for Pure/Mixed Micelle and Protein/Micelle Complex Systems. J. Chem. Inf. Model. 53 (8) (2013)
Benjamin T. Miller, Rishi P. Singh, Jeffery B. Klauda, Milan Hodoscek, Bernard R. Brooks, H. Lee Woodcock III
CHARMMing: A New, Flexible Web Portal for CHARMM. J. Chem. Inf. Model. 48 (9) (2008)