Demo Data from EDBT 2026 / reviewers in the wild / expert
Sergej Rjasanow
dblp:24/173
· DBLP profile ↗
1ranked-venue papers
0as first author
0since 2021 · last 2007
—ORCID · unresolved
Domains — the database's venue-derived domains; a paper can count in several
Applied, interdisciplinary, general and emerging computing · 1
Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.
| Interdisciplinary, comprehensive, and emerging computing
1 paper |
Bioinformatics and computational biology · 100% |
Topics — the 3 heaviest of 4, each with the papers that count most for it
| Topic | Weight | Papers | Last | Evidence papers |
|---|---|---|---|---|
Bioinformatics and computational biology › molecular informatics › molecular modeling
molecular electrostatics |
0.1 | 1 | 2007 | Electrostatic potentials of proteins in water: a structured continuum approach · Bioinform. 2007 |
Bioinformatics and computational biology
structural bioinformatics |
0.1 | 1 | 2007 | Electrostatic potentials of proteins in water: a structured continuum approach · Bioinform. 2007 |
Bioinformatics and computational biology
molecular recognition |
0.0 | 1 | 2007 | Electrostatic potentials of proteins in water: a structured continuum approach · Bioinform. 2007 |
Methods — techniques the papers use, named apart from their topics
differential formulation · 0.1boundary element method · 0.1
| Year | Publication | Venue | Position |
|---|---|---|---|
| 2007 | Electrostatic potentials of proteins in water: a structured continuum approachabstractElectrostatic interactions play a crucial role in many biomolecular processes, including molecular recognition and binding. Biomolecular electrostatics is modulated to a large extent by the water surrounding the molecules. Here, we present a novel approach to the computation of electrostatic potentials which allows the inclusion of water structure into the classical theory of continuum electrostatics. Based on our recent purely differential formulation of nonlocal electrostatics [Hildebrandt, et al. (2004) Phys. Rev. Lett., 93, 108104] we have developed a new algorithm for its efficient numerical solution. The key component of this algorithm is a boundary element solver, having the same computational complexity as established boundary element methods for local continuum electrostatics. This allows, for the first time, the computation of electrostatic potentials and interactions of large biomolecular systems immersed in water including effects of the solvent's structure in a continuum description. We illustrate the applicability of our approach with two examples, the enzymes trypsin and acetylcholinesterase. The approach is applicable to all problems requiring precise prediction of electrostatic interactions in water, such as protein-ligand and protein-protein docking, folding and chromatin regulation. Initial results indicate that this approach may shed new light on biomolecular electrostatics and on aspects of molecular recognition that classical local electrostatics cannot reveal. Andreas Hildebrandt 0001, Ralf Blossey, Sergej Rjasanow, Oliver Kohlbacher, Hans-Peter Lenhof |
Bioinform. | 3 |