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Learning the reaction coordinate: collective variables from physical intuition to generative models.

Digit Discov
Talmazan RA, Chen CG, Tang C, Megías A, Contreras Arredondo S, Chipot C.   +5 more
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Structural Properties of Stochastic Dynamic Programs

Operations Research, 2002
In Markov models of sequential decision processes, one is often interested in showing that the value function is monotonic, convex, and/or supermodular in the state variables. These kinds of results can be used to develop a qualitative understanding of the model and characterize how the results will change with changes in model parameters.
James E. Smith 0003, Kevin F. McCardle
openaire   +2 more sources

Structural and dynamic properties of thymopoietin mimetics

Journal of Biomolecular Structure and Dynamics, 2013
We propose a hypothesis that the T-cell receptor is a possible target of thymic hormones. We modelled the conformational dynamics of thymopentin and its structural variants in solution, as well as the interactions of these short peptides with the proposed molecular target.
Maxim S, Kondratyev, Sergey M, Lunin, Artem V, Kabanov, Alexandr A, Samchenko, Vladislav M, Komarov, Evgeny E, Fesenko, Elena G, Novoselova   +6 more
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Structure and Dynamical Properties

1999
In the last chapter, we saw that compartimentai matrices had eigenvalues whose real part, if not zero, was negative. Hence, any solution to the associated differential equation was asymptotically stable. We also saw that positive initial values lead to non-negative solutions. However, there is still the possibility that a solution have a zero component
Gilbert G. Walter, Martha Contreras
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Impact of graphyne on structural and dynamical properties of calmodulin

Physical Chemistry Chemical Physics, 2017
Carbon-based nanomaterials such as graphyne, graphene, and carbon nanotubes have attracted considerable attention for their applications, but questions remain regarding their biosafety through potential adverse interactions with important biomolecules.
Mei Feng, David R. Bell, Judong Luo, Ruhong Zhou   +3 more
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