Results 201 to 210 of about 33,125 (245)
Exploring the Regulatory Function of NGAL in MMP-9 Complexes. [PDF]
Comput Struct Biotechnol JCharzewski Ł, Krzyśko KA.
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Pushing the boundary of quantum advantage in hard combinatorial optimization with probabilistic computers. [PDF]
Nat CommunChowdhury S +14 more
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Development of a Three-Dimensional Mucosal Surface Cast of the Caprine <i>Ruminoreticulum</i>. [PDF]
Vet SciTruelsen J +9 more
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Identifying and Characterizing Lipid-Binding Cavities in Lipid Transfer Proteins With CG-MD Simulations. [PDF]
Bio ProtocÁlvarez D, Vanni S, Srinivasan S.
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Emerging Insights into the Distinct Pharmacological Mechanisms of Buprenorphine. [PDF]
J Chem Inf ModelAlonso-Carrasco A +11 more
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Journal of Chemical Theory and Computation, 2013
A statistical mechanics description of complex molecular systems involves the determination of ensembles of conformations that represent their Boltzmann distributions. The observable properties of these systems can be then predicted by calculating averages over such ensembles. In principle, given accurate energy functions and efficient sampling methods,
C. Camilloni, A. Cavalli, M. Vendruscolo
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A statistical mechanics description of complex molecular systems involves the determination of ensembles of conformations that represent their Boltzmann distributions. The observable properties of these systems can be then predicted by calculating averages over such ensembles. In principle, given accurate energy functions and efficient sampling methods,
C. Camilloni, A. Cavalli, M. Vendruscolo
openaire +2 more sources
The Replica Trick in the Frame of Replica Interpolation
2019As it is very well known, for disordered models of statistical mechanics, the celebrated “replica trick” is based on the idea that the annealed averages for replicated systems give some relevant information on the original system. We give a new interpretation of the replica trick in the general frame of interpolation on the number of replicas ...
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