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John L. Klepeis
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2020 – today
- 2021
- [c8]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: 1 - 2020
- [i1]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 abs/2008.06431 (2020)
2000 – 2009
- 2009
- [c7]David E. Shaw, Ron O. Dror
Millisecond-scale molecular dynamics simulations on Anton. SC 2009 - [c6]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
Millisecond-scale molecular dynamics simulations on Anton. SC 2009 - [r1]John L. Klepeis, Christodoulos A. Floudas:
Multiple Minima Problem in Protein Folding: aplhaBB Global Optimization Approach. Encyclopedia of Optimization 2009: 2490-2497 - 2008
- [j7]David E. Shaw, Martin M. Deneroff, Ron O. Dror
Anton, a special-purpose machine for molecular dynamics simulation. Commun. ACM 51(7): 91-97 (2008) - [c5]Richard H. Larson, John K. Salmon, Ron O. Dror
High-throughput pairwise point interactions in Anton, a specialized machine for molecular dynamics simulation. HPCA 2008: 331-342 - [c4]Tiankai Tu, Charles A. Rendleman, David W. Borhani
A scalable parallel framework for analyzing terascale molecular dynamics simulation trajectories. SC 2008: 56 - 2007
- [c3]David E. Shaw, Martin M. Deneroff, Ron O. Dror
Anton, a special-purpose machine for molecular dynamics simulation. ISCA 2007: 1-12 - 2006
- [c2]Kevin J. Bowers, Edmond Chow, Huafeng Xu
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters. SC 2006: 84 - 2005
- [j6]John L. Klepeis, Christodoulos A. Floudas:
Analysis and prediction of loop segments in protein structures. Comput. Chem. Eng. 29(3): 423-436 (2005) - 2003
- [j5]John L. Klepeis, Christodoulos A. Floudas:
Prediction of beta-sheet topology and disulfide bridges in polypeptides. J. Comput. Chem. 24(2): 191-208 (2003) - [j4]John L. Klepeis, Christodoulos A. Floudas:
Ab initio Tertiary Structure Prediction of Proteins. J. Glob. Optim. 25(1): 113-140 (2003) - 2002
- [j3]John L. Klepeis, Christodoulos A. Floudas:
Ab initio prediction of helical segments in polypeptides. J. Comput. Chem. 23(2): 245-266 (2002)
1990 – 1999
- 1999
- [j2]John L. Klepeis, Christodoulos A. Floudas:
Comparative study of global minimum energy conformations of hydrated peptides. J. Comput. Chem. 20(6): 636-654 (1999) - [j1]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): 1354-1370 (1999) - 1998
- [c1]Christodoulos A. Floudas, John L. Klepeis, Panos M. Pardalos:
Global optimization approaches in protein folding and peptide docking. Mathematical Support for Molecular Biology 1998: 141-171
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