改革运动
发表于 2025-3-23 10:52:02
D.C. Programming Approach for Large-Scale Molecular Optimization via the General Distance Geometry lve the original problem by applying DCA from the point obtained by Phase 1. Requiring only matrix-vector products and one Cholesky factorization, DCA seems to be robust and efficient in the large scale setting as proved by numerical simulations which furthermore indicated that DCA always converges to global solutions.
fructose
发表于 2025-3-23 15:34:04
1571-568X niques for addressing severalcomputational chemistry and biology problems. A tantalizing problemthat cuts across the fields of computational chemistry, biology,medicine, engineering and applied mathematics is how proteins fold.Global and local optimization provide a systematic framework ofconformati
PAD416
发表于 2025-3-23 21:03:08
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olfction
发表于 2025-3-23 23:46:29
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袭击
发表于 2025-3-24 04:10:43
Energy Landscape Projections of Molecular Potential Functions,ntial surfaces with very large numbers of local minima. This paper shows how statistics provided by the CGU global optimization algorithm can be used to characterize and interpret these topographies using a 2-dimensional landscape projection.
暂时休息
发表于 2025-3-24 07:09:57
Protein Folding Simulations by Monte Carlo Simulated Annealing and Multicanonical Algorithm, oligopeptides, C-peptide of ribonuclease A and the fragment BPTI(16–36) of bovine pancreatic trypsin inhibitor. The lowest-energy conformations obtained have .-helix structure and .-sheet structure for C-peptide and BPTI(16–36), respectively, in accord with experimental implications.
无意
发表于 2025-3-24 14:28:34
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大吃大喝
发表于 2025-3-24 15:06:08
978-1-4419-4826-7Springer Science+Business Media Dordrecht 2000
微生物
发表于 2025-3-24 21:59:30
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门窗的侧柱
发表于 2025-3-25 02:20:39
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