Your English writing platform
Discover LudwigExact(4)
For example, if a residue at the 100th position is present at the interface and while interacting with other residues from the interacting chain, it contributes a total of −10 kJ/mol energy, then the EEC of this residue (present at the 100th position) is said to be −10.
Our algorithm consists of three main computational steps: (i) construction of bipartite graphs based on the residues' 3D-coordinate information of interacting chain pairs within protein complexes, (ii) discovery of maximal bicliques from every bipartite graph and (iii) calculation of exact non-redundant occurrence for every maximal biclique that meets a size threshold.
It is usually denoted by G= V1, V2, E), where E is the set of edges of G. To transform an interacting chain pair into a bipartite graph, we represent every residue as a vertex, and an edge is assigned between a residue x1 in one chain and a residue x2 in the other chain if and only if there exists a pair of atoms between x1 and x2 whose distance is less than a threshold.
Step 3: we identify bicliques that occur in protein complexes with a high non-redundant occurrence; while bicliques that occur in only a few interacting chain pairs are not of our primary interests.
Similar(56)
It is a valuable resource that can be used for various purposes such as identification of non-covalent interactions at a protein protein interface, given the coordinates of the two (interacting) chains in a single pdb file.
For the 30 dimers, the two interacting chains were separated and then allowed to dock using FRODOCK.
An interface was termed as strong interactor type if both the interacting chains had 10 or more exposed-conserved residues in their monomeric form.
We will use the term "semi-interface" to refer to a group of interface residues belonging to one of the interacting chains.
The series of the likelihood values remained instable, which indicates a fairly slow mixing of the Markov chain because the target distribution was inherently multimodal and the parallel interacting chains switched their target local modes successively.
Conservation score for all the residues of the interacting chains was obtained by collecting homologous sequences followed by multiple sequence alignment (please see the Methods section for greater details).
Complex between soluble tissue factor protein and blood coagulation factor VII-A protein (PDB ID – 1FAK; interacting chains – T and L): Alanine scanning mutagenesis results show that two residues, T-LYS-20 position and T-ASP-58 position in soluble tissue factor, act as hotspots.
Write better and faster with AI suggestions while staying true to your unique style.
Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com