Coarse-grained models for proteins.

By Valentina Tozzini. Current Opinion in Structural Biology, 2005

789 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/33e451dc7d217763a3d7c26fb230470a7006052b

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In Atomic and Molecular Physics, and Optics

In Materials Chemistry

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Citations in the corpus

Direct prediction of profiles of sequences compatible with a protein structure by neural networks with fragment‐based local and energy‐based nonlocal profiles (2014, background): “Other coarse-grained statistical potentials (backbone only) 45 can also be employed here.”
Computational protein design: a review (2017, background): “Advances have been made through the use of atomistic models, which are capable of providing detailed descriptions of protein dynamics [9, 10, 15], and through the development of coarse-grained representations, which enable more comprehensive sampling of the conformational space [3, 16 – 19].”
Merger of structure and material in nacre and bone - Perspectives on de novo biomimetic materials (2009, background): “This lead to the development of coarsegrained models [33], which provide simplified representations of macromolecules employing less degrees of freedom and simple bonded and non-bonded interactions that can be rapidly calculated in each time step.”
Computational protein structure refinement: Almost there, yet still so far to go (2017, background): “85 140 Coarse-grained models offer advantages over fully atomistic force ﬁ elds 141,142 by reducing computational costs, and providing smoother energy land-scapes that are helpful in navigating the transition from a slightly incorrect but already well-folded initial model to the native state.”
Stochastic mechano-chemical kinetics of molecular motors: A multidisciplinary enterprise from a physicist’s perspective (2012, background): “If one is interested in developing a “structural” model that captures the intramotor movements and conformational changes of the motor in each cycle, then the most convenient approximation would be a coarse-grained description [387, 388, 389, 390, 391].”