Further aspects of the roaming mechanism in formaldehyde dissociation
Lahankar, S.A., Goncharov, V., Suits, F., Farnum, J.D., Bowman, J.M., Suits, Arthur G.
Published in Chemical physics (23.05.2008)
Published in Chemical physics (23.05.2008)
Get full text
Journal Article
Structure‐Activity Studies Reveal Scope for Optimisation of Ebselen‐Type Inhibition of SARS‐CoV‐2 Main Protease
Thun‐Hohenstein, Siegfried T. D., Suits, Timothy F., Malla, Tika R., Tumber, Anthony, Brewitz, Lennart, Choudhry, Hani, Salah, Eidarus, Schofield, Christopher J.
Published in ChemMedChem (16.02.2022)
Published in ChemMedChem (16.02.2022)
Get full text
Journal Article
Blue Matter, an application framework for molecular simulation on Blue Gene
Fitch, B.G, Germain, R.S, Mendell, M, Pitera, J, Pitman, M, Rayshubskiy, A, Sham, Y, Suits, F, Swope, W, Ward, T.J.C, Zhestkov, Y, Zhou, R
Published in Journal of parallel and distributed computing (2003)
Published in Journal of parallel and distributed computing (2003)
Get full text
Journal Article
Blue Gene: A vision for protein science using a petaflop supercomputer
Allen, F., Almasi, G., Andreoni, W., Beece, D., Berne, B. J., Bright, A., Brunheroto, J., Cascaval, C., Castanos, J., Coteus, P., Crumley, P., Curioni, A., Denneau, M., Donath, W., Eleftheriou, M., Flitch, B., Fleischer, B., Georgiou, C. J., Germain, R., Giampapa, M., Gresh, D., Gupta, M., Haring, R., Ho, H., Hochschild, P., Hummel, S., Jonas, T., Lieber, D., Martyna, G., Maturu, K., Moreira, J., Newns, D., Newton, M., Philhower, R., Picunko, T., Pitera, J., Pitman, M., Rand, R., Royyuru, A., Salapura, V., Sanomiya, A., Shah, R., Sham, Y., Singh, S., Snir, M., Suits, F., Swetz, R., Swope, W. C., Vishnumurthy, N., Ward, T. J. C, Warren, H., Zhou, R.
Published in IBM systems journal (01.01.2001)
Published in IBM systems journal (01.01.2001)
Get full text
Journal Article
Early performance data on the Blue Matter molecular simulation framework
Germain, R S, Zhestkov, Y, Eleftheriou, M, Rayshubskiy, A
Published in IBM journal of research and development (01.03.2005)
Published in IBM journal of research and development (01.03.2005)
Get full text
Journal Article
Overview of molecular dynamics techniques and early scientific results from the Blue Gene project
Suits, F, Pitman, M C, Pitera, J W, Swope, W C, Germain, R S
Published in IBM journal of research and development (01.03.2005)
Published in IBM journal of research and development (01.03.2005)
Get full text
Journal Article
Poincare sphere interpretation of Kerr-effect measurements using a photoelastic modulator
Get full text
Journal Article
Conference Proceeding
Custom math functions for molecular dynamics
Enenkel, R F, Fitch, B G, Germain, R S, Gustavson, F G
Published in IBM journal of research and development (01.03.2005)
Published in IBM journal of research and development (01.03.2005)
Get full text
Journal Article
Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 1. Theory
Swope, William C, Pitera, Jed W, Suits, Frank
Published in The journal of physical chemistry. B (27.05.2004)
Published in The journal of physical chemistry. B (27.05.2004)
Get full text
Journal Article
Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 2. Example Applications to Alanine Dipeptide and a β-Hairpin Peptide
Swope, William C, Pitera, Jed W, Suits, Frank, Pitman, Mike, Eleftheriou, Maria, Fitch, Blake G, Germain, Robert S, Rayshubski, Aleksandr, Ward, T. J. C, Zhestkov, Yuriy, Zhou, Ruhong
Published in The journal of physical chemistry. B (27.05.2004)
Published in The journal of physical chemistry. B (27.05.2004)
Get full text
Journal Article
Role of Cholesterol and Polyunsaturated Chains in Lipid−Protein Interactions: Molecular Dynamics Simulation of Rhodopsin in a Realistic Membrane Environment
Pitman, Michael C, Grossfield, Alan, Suits, Frank, Feller, Scott E
Published in Journal of the American Chemical Society (06.04.2005)
Published in Journal of the American Chemical Society (06.04.2005)
Get full text
Journal Article
The Effect of Preanalytical Factors on Stability of the Proteome and Selected Metabolites in Cerebrospinal Fluid (CSF)
Rosenling, Therese, Slim, Christiaan L, Christin, Christin, Coulier, Leon, Shi, Shanna, Stoop, Marcel P, Bosman, Jan, Suits, Frank, Horvatovich, Peter L, Stockhofe-Zurwieden, Norbert, Vreeken, Rob, Hankemeier, Thomas, van Gool, Alain J, Luider, Theo M, Bischoff, Rainer
Published in Journal of proteome research (04.12.2009)
Published in Journal of proteome research (04.12.2009)
Get full text
Journal Article
Reactive ion assisted deposition of aluminum oxynitride thin films
Hwangbo, C K, Lingg, L J, Lehan, J P, Macleod, H A, Suits, F
Published in Applied optics (2004) (15.07.1989)
Published in Applied optics (2004) (15.07.1989)
Get more information
Journal Article
Simplification of surface annotations
Suits, F., Klosowski, J.T., Horn, W.P., Lecina, G.
Published in Proceedings Visualization 2000. VIS 2000 (Cat. No.00CH37145) (2000)
Published in Proceedings Visualization 2000. VIS 2000 (Cat. No.00CH37145) (2000)
Get full text
Conference Proceeding
Bloch line influence on wall motion response in thin-film heads
Argyle, B. E., Petek, B., Re, M. E., Suits, F., Herman, D. A.
Published in Journal of applied physics (15.04.1988)
Published in Journal of applied physics (15.04.1988)
Get full text
Journal Article
The organic aerosols of Titan
Khare, B N, Sagan, C, Thompson, W R, Arakawa, E T, Suits, F, Callcott, T A, Williams, M W, Shrader, S, Ogino, H, Willingham, T O, Nagy, B
Published in Advances in space research (1984)
Published in Advances in space research (1984)
Get more information
Journal Article