John L. Klepeis

According to our database1, John L. Klepeis authored at least 14 papers between 1998 and 2020.

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Bibliography

2020
Efficient hyperparameter optimization by way of PAC-Bayes bound minimization.
CoRR, 2020

2009
Multiple Minima Problem in Protein Folding: aplhaBB Global Optimization Approach.
Proceedings of the Encyclopedia of Optimization, Second Edition, 2009


2008
Anton, a special-purpose machine for molecular dynamics simulation.
Commun. ACM, 2008

A scalable parallel framework for analyzing terascale molecular dynamics simulation trajectories.
Proceedings of the ACM/IEEE Conference on High Performance Computing, 2008

High-throughput pairwise point interactions in Anton, a specialized machine for molecular dynamics simulation.
Proceedings of the 14th International Conference on High-Performance Computer Architecture (HPCA-14 2008), 2008

2006
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters.
Proceedings of the ACM/IEEE SC2006 Conference on High Performance Networking and Computing, 2006

2005
Analysis and prediction of loop segments in protein structures.
Comput. Chem. Eng., 2005

2003
Ab initio Tertiary Structure Prediction of Proteins.
J. Glob. Optim., 2003

Prediction of beta-sheet topology and disulfide bridges in polypeptides.
J. Comput. Chem., 2003

2002
Ab initio prediction of helical segments in polypeptides.
J. Comput. Chem., 2002

1999
Predicting peptide structures using NMR data and deterministic global optimization.
J. Comput. Chem., 1999

Comparative study of global minimum energy conformations of hydrated peptides.
J. Comput. Chem., 1999

1998
Global optimization approaches in protein folding and peptide docking.
Proceedings of the Mathematical Support for Molecular Biology, 1998


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