巨头
发表于 2025-3-30 09:48:13
Global Optimization and Sampling in the Context of Tertiary Structure Prediction: A Comparison of Tin terms of energy minimization, diversity of the resulting low-energy structures, and energetic rank of native-like structures. Four proteins (PDB codes 1GB1, 1CC5, 1MBD and 1GDM) are studied using each program, with the same target function, allowing a rigorous comparison of performance. In terms
Gleason-score
发表于 2025-3-30 15:54:11
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demote
发表于 2025-3-30 19:11:48
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Indebted
发表于 2025-3-31 00:30:43
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Exposure
发表于 2025-3-31 03:07:54
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chastise
发表于 2025-3-31 08:31:17
Structure Prediction of Binding Sites of MHC Class II Molecules based on the Crystal of HLA-DRB1 anactivate the immune response. A number of class II histocompatibility molecules have been analyzed by crystallography and include the molecules HLA-DR1 , HLA-DR3 , and I-.. ..A novel theoretical predictive approach is presented that can determine three dimensional structures of the bindi
潜伏期
发表于 2025-3-31 12:41:01
A Coupled Scanning and Optimization Scheme for Analyzing Molecular Interactions,ipe for the implementation of hybrid algorithms. Hybrid methods create improved algorithms from existing ones by mixing techniques in a way that maximizes advantages and minimizes disadvantages. Here, we outline a hybrid method for molecular docking which couples the rapid-scanning algorithm DOT wit
故意
发表于 2025-3-31 14:05:30
Improved Evolutionary Hybrids for Flexible Ligand Docking in AutoDock,brid evolutionary algorithms (EAs) incorporate specialized operators that exploit domain-specific features to accelerate an EA’s search. We consider hybrid EAs that use an integrated local search operator to refine individuals within each iteration of the search. We evaluate several factors that imp
Decimate
发表于 2025-3-31 19:38:19
Electrostatic Optimization in Ligand Complementarity and Design,. Using a continuum electrostatic approximation based on the linearized Poisson-Boltzmann equation, the electrostatic free energy of rigid bimolecular association becomes a quadratic function of the reactant-charge distributions. By optimizing the charge distribution of one reactant, we find that th
HAIL
发表于 2025-4-1 01:18:17
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