Implementation of ECEPP-based programs on the IBM SP2 and the SGI power challenge computers

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 1067, Issue , 1996, Pages 365-372

  O'Donnell, Timothy J ^a   Hotovy, Steven G ^a   Pottle, Marcia S ^a   Ripoll, Daniel R ^a   Scheraga, Harold A ^a  

^a Department of Obstetrics Gynecology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOINFORMATICS;

CONFORMATIONAL ENERGIES; DESIGN AND IMPLEMENTATIONS; MESSAGE PASSING ALGORITHM; MESSAGE PASSING INTERFACE; MESSAGE PASSING LIBRARIES; PERFORMANCE DATA;

MESSAGE PASSING;

EID: 84944201799     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/3-540-61142-8_571     Document Type: Conference Paper

References (18)

1. Momany, F. A., McGuire, R. F., Burgess, A. W., & Scheraga, H. A., O. Phys. Chem. 79 (1975) 2361-2381
2. Némethy, G., Pottle, M. S. & Scheraga, H. A., J. Phys. Chem. 87 (1983) 1883-1887
3. Sippl, M. J., Némethy, G. & Scheraga, H. A., J. Phys. Chem. 88 (1984) 6231 6233
4. Nemethy, G., Gibson, K. D., Palmer, K. A., Yoon, C. N., Paterlini, G., Zagari, A., Rumsey, S., and Scheraga, H. A., J. Phys. Chem. 96 (1992) 6472-6484
5. Li, Z. & Scheraga, H. A., Proc. Natl. Acad. Sci. 84 (1987) 6611-6616
6. Li, Z. & Scheraga, H. A., J. Mol. Struct. (Theochem) 179 (1988) 333-352
7. Ripoll, D. & Scheraga, H. A., Biopolymers 27 (1988) 1283-1303
8. Ripoll, D. R., Pottle, M. S., Gibson, K. D., Liwo, A. & Scheraga, H. A., J. Comp. Chem. 16 (1995) 1153-1163
9. Scheraga, H. A., Adv. Phys. Org. Chem. 6 (1968) 103-184
10. Vásquez, M., Némethy, G. & Scheraga, H. A., Chem Rev. 94 (1994) 2183-2239
11. Anfinsen, C. B., Science 181 (1973) 223-230
12. Metropolis, N., Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H. & Teller, E. J., Chem. Phys. 21 (1953) 1087-1092
13. Applied Parallel Research. FORGE Explorer Version 2.0 User's Guide. 580 Main Street, Suite I, Placerville, CA 95667. January (1995)
14. IBM AIX Parallel Environment: Parallel Programming Subroutine Reference, Release 2.0. IBM Corporation, Kingston, New York. June, (1994)
15. Message Passing Interface Forum. MPI: A Message-Passing Interface Standard, Version 1.1. University of Tennessee, Knoxville, Tennessee. June, (1995)
16. MPICH is a portable implementation of MPI which resulted from a joint-effort project between Argonne National Laboratory (W. Gropp and E. Lusk) and Mississippi State University (A. Skjellum and N. Doss); mpich.tar.Z is available by anonymous ftp from info.mcs.anl.gov.
17. Deisenhofer, J. & Steigeman, W. Acta Crystallogr. Sect. B 31 (1975) 238-250
18. Ripoll, D., Piela, L., Vásquez, M., and Scheraga, H., Proteins, Struc., Punc. and Gen. 10 (1991) 188-198