The topology of multidimensional potential energy surfaces: Theory and application to peptide structure and kinetics
By O. Becker, Martin Karplus. 1997
Subfields: Computational Chemistry & Drug Discovery
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In Computational Chemistry & Drug Discovery
Citations in the corpus
- On the Anatomy of MCMC-based Maximum Likelihood Learning of Energy-Based Models (2019, background): “Techniques for mapping and visualizing the energy landscape of non-convex functions in the physical chemistry literature (Becker and Karplus 1997; Das and Wales 2017) have been applied to map the latent space of Cooperative Networks (Hill, Nijkamp, and Zhu 2019).”
- Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects (2005, background): “Here below we follow the very clear exposition by Becker and Karplus (1997).”
- Barrier Trees of Degenerate Landscapes (2002, background): “Methods to elucidate the basin structure of landscapes by means of trees that represent local minima and their connecting saddle points have been developed independently in different contexts, among them ±J spin models [17, 16], potential energy surfaces (PES) for protein folding [2, 10] and molecul”
- p-Adic mathematical physics: the first 30 years (2017, background): “In [47] the dynamics of polypeptides was modeled and it was shown that it can be approximated by a hierarchy of transitions between the energy minima described by the so called disconnectivity graph.”
- Building a Telescope to Look Into High-Dimensional Image Spaces (2018, methodology): “Disconnectivity Graphs [3], or DG’s, are a widely-used tool for displaying the most important features of an energy landscape.”