Energy Landscapes
Exploring high dimensional free energy landscapes : temperature accelerated sliced sampling
... Controlled exploration of free energy surfaces, for instance along certain reaction pathways, can thus be achieved in TASS, by an appropriate choice of the US coordinate. The method per- mits one to add and remove ...
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Glass transition and random walks on complex energy landscapes
... various energy landscapes (of Lennard-Jones atoms, proteins, spin glasses) have used complex network analysis tools [6, 7, 12, 13, ...the energy of a minimum on its degree [7, 10, 12], or ...
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Energy landscapes in Mozambique : The role of extractive industries in a post-conflict environment
... of energy landscapes to examine the spatial arrangements and material legacies of processes of energy extraction, conversion, distribution, and consumption, including how these have been maintained ...
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Systematic mapping of free energy landscapes of a growing filamin domain during biosynthesis
... free energy landscapes associated with folding of the FLN5 filamin domain, in isolation and on the ribosome, and thus, quantify a substantial destabilization of the native structure on the ...
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Predicted crystal energy landscapes of porous organic cages
... CC3 energy landscape are also seen for CC4 (Fig. 7b). However, the energy of CC4 homochiral window-to-window packing relative to heterochiral is predicted to be approximately double that found for ...the ...
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Exploring high dimensional free energy landscapes of chemical reactions
... Molecular dynamics (MD) techniques are widely used in computing free-energy changes for conformational transi- tions and chemical reactions, in particular, to study such processes in condensed matter systems. Most ...
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How animals distribute themselves in space: variable energy landscapes
... build energy landscapes that also take into account the energy gained during foraging, we calculated bottom times (duration in s of bottom dive phase) and minimum benthic bottom times (mBBT; Table ...
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Dynamics of the Desai Zwanzig model in multiwell and random energy landscapes
... potentials/rugged energy landscapes have numerous applications, from materials science and catalysis where (surface) diffusion in a multiscale poten- tial is critical to understanding how atoms or molecules ...
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Energy Landscapes and Environmentality: Boundaries between Discourses and Practices in Energy Governance
... of energy governance can promote innovative environmental subjectivities, but eventually become the stage of constructed rationalities that legitimate the predatory use of natural ...of energy production. ...
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Membranes: A Variety of Energy Landscapes for Many Transfer Opportunities
... Softer colloid-membrane interaction ramp reduces the separation energy cost Asymetric transmission 354. through a membrane 355[r] ...
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Membranes: A Variety of Energy Landscapes for Many Transfer Opportunities
... The two-fluid formalism is based on the application of the momentum and the mass balances on the dispersed phase and on the fluid phase (Jackson, 1997). This formalism allows to account for the different transport ...
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The social dimension in energy landscapes
... If, nowadays, the Communities’ welfare lies in new expressions of collaboration between different types of subjects for the achievement of common objectives, cultural consensus becomes the collective transformation tool ...
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Simulated annealing on uncorrelated energy landscapes
... However, even uncorrelated functions possess a certain combinatorial structure regarding optimization For instance, as pointed out in [3], fitter local maxima tend to have larger basins [r] ...
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Predictive Modeling of Protein Folding Thermodynamics, Mutational Effects and Free Energy Landscapes
... Deciphering the folding mechanism of small single-domain proteins has a long and well-chartered history that has been and still is aided by numerous experimental and computational approaches. The computational tools at ...
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Dissecting conformational contributions to glycosidase catalysis and inhibition
... Free energy landscapes reveal mannoimidazole, unlike isofagomine, is able to attain the conformations relevant to glycosidase catalysis; (ii) X-ray structures of a Michaelis complex (1GVY), glycosyl enzyme ...
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Atomic Dynamics in Metallic Liquids and Glasses
... How atoms move in metallic glasses and liquids is an important question in discussing atomic transport, glass formation, structural relaxation and other properties of metallic glasses. While the concept of free-volume ...
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Energy landscape of the finite size mean field 2 spin spherical model and topology trivialization
... potential energy landscapes of various models arising in physics and chemistry is a very active area of re- search in different fields of science and ...potential energy landscapes of a class ...
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Robust Control of Evolutionary Dynamics
... To reason about the dynamics of HIV evolution to resistance in the presence of antibody therapy, we combined computed Gibbs energy landscapes with a stochastic evolutionary dynamical sys[r] ...
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Methylation in Nucleosome Positioning
... shows energy landscapes of the same human gene (TMEM176A) accord- ing to different models, all at ...elastic energy from the Monte Carlo simulation using the hybrid parameter set ...the energy ...
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Outer membrane protein folding from an energy landscape perspective
... The outer membrane protein folding problem More than 50 years of work on the folding pathways of water soluble proteins has yielded a plethora of detailed insights into the conformations visited by polypeptides along ...
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