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Stochastic reconstruction of protein structures from effective connectivity profiles.
Wolff K, Vendruscolo M, Porto M.
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A stochastic method for the reconstruction of protein structures from one-dimensional structural profiles.
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Guiding conformation space search with an all-atom energy potential.
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All-atom Monte Carlo approach to protein-peptide binding.
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Narang P, Bhushan K, Bose S, Jayaram B.
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Effective knowledge-based potentials.
Ferrada E, Melo F.
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Explicit orientation dependence in empirical potentials and its significance to side-chain modeling.
Ma J.
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Amino acid interaction preferences in proteins.
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Native secondary structure topology has near minimum contact energy among all possible geometrically constrained topologies.
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Stochastic dynamics of model proteins on a directed graph.
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Building disease-specific drug-protein connectivity maps from molecular interaction networks and PubMed abstracts.
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Generating properly weighted ensemble of conformations of proteins from sparse or indirect distance constraints.
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An estimate of the numbers and density of low-energy structures (or decoys) in the conformational landscape of proteins.
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Dynamics in the metabasin space of a Lennard-Jones glass former: connectivity and transition rates.
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