John L. Klepeis

Publication Activity (10 Years)

Years Active: 1998-2021
Publications (10 Years): 2

Top Topics

Molecular Dynamics

Scientific Data

Top Venues

Publications

David E. Shaw, Peter J. Adams, Asaph Azaria, Joseph A. Bank, Brannon Batson, Alistair Bell, Michael Bergdorf, Jhanvi Bhatt, J. Adam Butts, Timothy Correia, Robert M. Dirks, Ron O. Dror, Michael P. Eastwood, Bruce Edwards, Amos Even, Peter Feldmann, Michael Fenn, Christopher H. Fenton, Anthony Forte, Joseph Gagliardo, Gennette Gill, Maria Gorlatova, Brian Greskamp, J. P. Grossman, Justin Gullingsrud, Anissa Harper, William Hasenplaugh, Mark Heily, Benjamin Colin Heshmat, Jeremy Hunt, Douglas J. Ierardi, Lev Iserovich, Bryan L. Jackson, Nick P. Johnson, Mollie M. Kirk, John L. Klepeis, Jeffrey S. Kuskin, Kenneth M. Mackenzie, Roy J. Mader, Richard McGowen, Adam McLaughlin, Mark A. Moraes, Mohamed H. Nasr, Lawrence J. Nociolo, Lief O'Donnell, Andrew Parker, Jon L. Peticolas, Goran Pocina, Cristian Predescu, Terry Quan, John K. Salmon, Carl Schwink, Keun Sup Shim, Naseer Siddique, Jochen Spengler, Tamas Szalay, Raymond Tabladillo, Reinhard Tartler, Andrew G. Taube, Michael Theobald, Brian Towles, William Vick, Stanley C. Wang, Michael Wazlowski, Madeleine J. Weingarten, John M. Williams, Kevin A. Yuh
Anton 3: twenty microseconds of molecular dynamics simulation before lunch. SC (2021)
John J. Cherian, Andrew G. Taube, Robert T. McGibbon, Panagiotis Angelikopoulos, Guy Blanc, Michael Snarski, Daniel D. Richman, John L. Klepeis, David E. Shaw
Efficient hyperparameter optimization by way of PAC-Bayes bound minimization. CoRR (2020)
David E. Shaw, Ron O. Dror, John K. Salmon, J. P. Grossman, Kenneth M. Mackenzie, Joseph A. Bank, Cliff Young, Martin M. Deneroff, Brannon Batson, Kevin J. Bowers, Edmond Chow, Michael P. Eastwood, Doug Ierardi, John L. Klepeis, Jeffrey Kuskin, Richard H. Larson, Kresten Lindorff-Larsen, Paul Maragakis, Mark A. Moraes, Stefano Piana, Yibing Shan, Brian Towles
Millisecond-scale molecular dynamics simulations on Anton. SC (2009)
David E. Shaw, Ron O. Dror, John K. Salmon, J. P. Grossman, Kenneth M. Mackenzie, Joseph A. Bank, Cliff Young, Martin M. Deneroff, Brannon Batson, Kevin J. Bowers, Edmond Chow, Michael P. Eastwood, Doug Ierardi, John L. Klepeis, Jeffrey Kuskin, Richard H. Larson, Kresten Lindorff-Larsen, Paul Maragakis, Mark A. Moraes, Stefano Piana, Yibing Shan, Brian Towles
Millisecond-scale molecular dynamics simulations on Anton. SC (2009)
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Jeffrey Kuskin, Richard H. Larson, John K. Salmon, Cliff Young, Brannon Batson, Kevin J. Bowers, Jack C. Chao, Michael P. Eastwood, Joseph Gagliardo, J. P. Grossman, Richard C. Ho, Doug Ierardi, István Kolossváry, John L. Klepeis, Timothy Layman, Christine McLeavey, Mark A. Moraes, Rolf Mueller, Edward C. Priest, Yibing Shan, Jochen Spengler, Michael Theobald, Brian Towles, Stanley C. Wang
Anton, a special-purpose machine for molecular dynamics simulation. Commun. ACM 51 (7) (2008)
Richard H. Larson, John K. Salmon, Ron O. Dror, Martin M. Deneroff, Cliff Young, J. P. Grossman, Yibing Shan, John L. Klepeis, David E. Shaw
High-throughput pairwise point interactions in Anton, a specialized machine for molecular dynamics simulation. HPCA (2008)
Tiankai Tu, Charles A. Rendleman, David W. Borhani, Ron O. Dror, Justin Gullingsrud, Morten Ø. Jensen, John L. Klepeis, Paul Maragakis, Patrick J. Miller, Kate A. Stafford, David E. Shaw
A scalable parallel framework for analyzing terascale molecular dynamics simulation trajectories. SC (2008)
David E. Shaw, Martin M. Deneroff, Ron O. Dror, Jeffrey Kuskin, Richard H. Larson, John K. Salmon, Cliff Young, Brannon Batson, Kevin J. Bowers, Jack C. Chao, Michael P. Eastwood, Joseph Gagliardo, J. P. Grossman, Richard C. Ho, Doug Ierardi, István Kolossváry, John L. Klepeis, Timothy Layman, Christine McLeavey, Mark A. Moraes, Rolf Mueller, Edward C. Priest, Yibing Shan, Jochen Spengler, Michael Theobald, Brian Towles, Stanley C. Wang
Anton, a special-purpose machine for molecular dynamics simulation. ISCA (2007)
Kevin J. Bowers, Edmond Chow, Huafeng Xu, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L. Klepeis, István Kolossváry, Mark A. Moraes, Federico D. Sacerdoti, John K. Salmon, Yibing Shan, David E. Shaw
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters. SC (2006)
John L. Klepeis, Christodoulos A. Floudas
Analysis and prediction of loop segments in protein structures. Comput. Chem. Eng. 29 (3) (2005)
John L. Klepeis, Christodoulos A. Floudas
Prediction of beta-sheet topology and disulfide bridges in polypeptides. J. Comput. Chem. 24 (2) (2003)
John L. Klepeis, Christodoulos A. Floudas
Ab initio Tertiary Structure Prediction of Proteins. J. Glob. Optim. 25 (1) (2003)
John L. Klepeis, Christodoulos A. Floudas
Ab initio prediction of helical segments in polypeptides. J. Comput. Chem. 23 (2) (2002)
John L. Klepeis, Christodoulos A. Floudas
Comparative study of global minimum energy conformations of hydrated peptides. J. Comput. Chem. 20 (6) (1999)
John L. Klepeis, Christodoulos A. Floudas, Dimitrios Morikis, John D. Lambris
Predicting peptide structures using NMR data and deterministic global optimization. J. Comput. Chem. 20 (13) (1999)
Christodoulos A. Floudas, John L. Klepeis, Panos M. Pardalos
Global optimization approaches in protein folding and peptide docking. Mathematical Support for Molecular Biology (1998)