Overview of molecular dynamics techniques and early scientific results from the Blue Gene project
- Frank Suits
- Michael C. Pitman
- et al.
- 2005
- IBM J. Res. Dev
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39 results for Michael C. Pitman
Molecular-level organization of saturated and polyunsaturated fatty acids in a phosphatidylcholine bilayer containing cholesterol
- Michael C. Pitman
- Frank Suits
- et al.
- 2004
- Biochemistry
Describing protein folding kinetics by molecular dynamics simulations. 2. Example applications to alanine dipeptide and a β-hairpin peptide
- William C. Swope
- Jed W. Pitera
- et al.
- 2004
- Journal of Physical Chemistry B
Blue Matter, an application framework for molecular simulation on Blue Gene
- B.G. Fitch
- R.S. Germain
- et al.
- 2003
- Journal of Parallel and Distributed Computing
Blue Gene: A vision for protein science using a petaflop supercomputer
- F.E. Allen
- G. Almasi
- et al.
- 2001
- IBM Systems Journal
Flashflood: A 3D field-based similarity search and alignment method for flexible molecules
- M. Pitman
- W.K. Huber
- et al.
- 2001
- J. Comput. Aided Mol. Des.
Molecular moment similarity between several nucleoside analogs of thymidine and thymidine
- B. David Silverman
- Mike C. Pitman
- et al.
- 1999
- Journal of Biomolecular Structure and Dynamics
Comparative Molecular Moment Analysis (CoMMA)
- B. David Silverman
- Daniel E. Platt
- et al.
- 1998
- Perspectives in Drug Discovery and Design
Molecular moment similarity between clozapine and substituted [(4-phenylpiperazinyl)-methyl] benzamides: Selective dopamine D4 agonists
- B.D. Silverman
- Mike C. Pitman
- et al.
- 1998
- J. Comput. Aided Mol. Des.