SciNet: Lessons Learned from Building a Power-efficient Top-20 System and Data Centre
Loken, Chris, Gruner, Daniel, Groer, Leslie, Peltier, Richard, Bunn, Neil, Craig, Michael, Henriques, Teresa, Dempsey, Jillian, Yu, Ching-Hsing, Chen, Joseph, Dursi, L Jonathan, Chong, Jason, Northrup, Scott, Pinto, Jaime, Knecht, Neil, Zon, Ramses Van
Published in Journal of physics. Conference series (01.11.2010)
Published in Journal of physics. Conference series (01.11.2010)
Get full text
Journal Article
Functional Hydration and Conformational Gating of Proton Uptake in Cytochrome c Oxidase
Henry, Rowan M., Yu, Ching-Hsing, Rodinger, Tomas, Pomès, Régis
Published in Journal of molecular biology (17.04.2009)
Published in Journal of molecular biology (17.04.2009)
Get full text
Journal Article
Catalytically enhanced endocellulase Cel5A from Acidothermus cellulolyticus
Baker, John O, McCarley, James R, Lovett, Rebecca, Yu, Ching-Hsing, Adney, William S, Rignall, Tauna R, Vinzant, Todd B, Decker, Stephen R, Sakon, Joshua, Himmel, Michael E
Published in Applied biochemistry and biotechnology (2005)
Published in Applied biochemistry and biotechnology (2005)
Get full text
Journal Article
Molecular dynamics simulations of the adsorption of methylene blue at clay mineral surfaces
Yu, Ching-Hsing, Newton, Susan Q, Norman, Mya A, Miller, David M, Schäfer, Lothar, Teppen, Brian J
Published in Clays and clay minerals (01.12.2000)
Published in Clays and clay minerals (01.12.2000)
Get full text
Journal Article
Ab Initio Geometry Determinations of Proteins. 1. Crambin
Van Alsenoy, Christian, Yu, Ching-Hsing, Peeters, Anik, Martin, Jan M. L, Schäfer, Lothar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.03.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.03.1998)
Get full text
Journal Article
A Combined NMR and Molecular Dynamics Study of the Transmembrane Solubility and Diffusion Rate Profile of Dioxygen in Lipid Bilayers
Al-Abdul-Wahid, M. Sameer, Yu, Ching-Hsing, Batruch, Ihor, Evanics, Ferenc, Pomès, Régis, Prosser, R. Scott
Published in Biochemistry (Easton) (05.09.2006)
Published in Biochemistry (Easton) (05.09.2006)
Get full text
Journal Article
Ab initio conformational analysis of the model tripeptide N-formyl-L-alanyl-L-alanine amide
Ramek, Michael, Yu, Ching-Hsing, Schäfer, Lothar
Published in Canadian journal of chemistry (01.05.1998)
Published in Canadian journal of chemistry (01.05.1998)
Get full text
Journal Article
Quantum Molecular Dynamics Simulations Regarding the Dechlorination of Trichloro Ethene in the Interlayer Space of the 2:1 Clay Mineral Nontronite
Teppen, Brian J, Yu, Ching-Hsing, Newton, Susan Q, Miller, David M, Schäfer, Lothar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.06.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.06.2002)
Get full text
Journal Article
Local Geometry Trends and Torsional Sensitivity in N-Formyl-l-alanyl-l-alanine Amide and the Limitations of the Dipeptide Approximation
Yu, Ching-Hsing, Schäfer, Lothar, Ramek, Michael
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.10.1999)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.10.1999)
Get full text
Journal Article
Ab Initio Study of the Conformational Dependence of the Nonplanarity of the Peptide Group
Ramek, Michael, Yu, Ching-Hsing, Sakon, Joshua, Schäfer, Lothar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2000)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (26.10.2000)
Get full text
Journal Article
Deploying a Top-100 Supercomputer for Large Parallel Workloads: the Niagara Supercomputer
Ponce, Marcelo, Ramses van Zon, Northrup, Scott, Gruner, Daniel, Chen, Joseph, Ertinaz, Fatih, Fedoseev, Alexey, Groer, Leslie, Mao, Fei, Mundim, Bruno C, Nolta, Mike, Pinto, Jaime, Saldarriaga, Marco, Slavnic, Vladimir, Spence, Erik, Ching-Hsing, Yu, Peltier, W Richard
Published in arXiv.org (31.07.2019)
Published in arXiv.org (31.07.2019)
Get full text
Paper
Journal Article
Article
Ramek, Michael, Yu, Ching-Hsing, Schäfer, Lothar
Published in Canadian journal of chemistry (01.05.1998)
Published in Canadian journal of chemistry (01.05.1998)
Get full text
Journal Article