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65
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JCC
1998
42views more  JCC 1998»
15 years 1 months ago
Free energy calculations in globular proteins: Methods to reduce errors
Alfredo Di Nola, Axel T. Brünger
69
Voted
JCC
1998
66views more  JCC 1998»
15 years 1 months ago
Searching for saddle points of potential energy surfaces by following a reduced gradient
Wolfgang Quapp, Michael Hirsch, Olaf Imig, Dietmar...
65
Voted
JCC
1998
60views more  JCC 1998»
15 years 1 months ago
Automated selection of optimal Gaussian fits to arbitrary functions in electronic structure theory
Claudine C. Tazartes, Christopher Radcliffe Anders...
77
Voted
JCC
1998
120views more  JCC 1998»
15 years 1 months ago
Development of a parallel molecular dynamics code on SIMD computers: Algorithm for use of pair list criterion
Danilo Roccatano, R. Bizzarri, G. Chillemi, N. San...
JCC
1998
61views more  JCC 1998»
15 years 1 months ago
Effect of available volumes on radial distribution functions
Timothy Astley, Gordon G. Birch, Michael G. B. Dre...