Free resources to assist structure-based virtual ligand screening experiments

BO Villoutreix, N Renault, D Lagorce… - Current Protein and …, 2007 - ingentaconnect.com
In today's research environment, a wealth of experimental/theoretical structural data is
available and the number of therapeutically relevant macromolecular structures is growing …

Blind men and elephants: What do citation summaries tell us about a research article?

A Elkiss, S Shen, A Fader, G Erkan… - Journal of the …, 2008 - Wiley Online Library
The old Asian legend about the blind men and the elephant comes to mind when looking at
how different authors of scientific papers describe a piece of related prior work. It turns out …

Dynamic and electrostatic effects on the reaction catalyzed by HIV-1 protease

A Krzeminska, V Moliner… - Journal of the American …, 2016 - ACS Publications
HIV-1 Protease (HIV-1 PR) is one of the three enzymes essential for the replication process
of HIV-1 virus, which explains why it has been the main target for design of drugs against …

RPBS: a web resource for structural bioinformatics

C Alland, F Moreews, D Boens… - Nucleic acids …, 2005 - academic.oup.com
Abstract RPBS (Ressource Parisienne en Bioinformatique Structurale) is a resource
dedicated primarily to structural bioinformatics. It is the result of a joint effort by several teams …

Reactivity and selectivity of iminium organocatalysis improved by a protein host

AR Nödling, K Świderek, R Castillo, JW Hall… - Angewandte …, 2018 - Wiley Online Library
There has been growing interest in performing organocatalysis within a supramolecular
system as a means of controlling reaction reactivity and stereoselectivity. Here, a protein is …

Local protein structures

B Offmann, M Tyagi, AG de Brevern - Current Bioinformatics, 2007 - ingentaconnect.com
Protein structures are classically described as composed of two regular states, the α-helices
and the β-strands and one non-regular and variable state, the coil. Nonetheless, this simple …

Solution structure of the silkworm βGRP/GNBP3 N-terminal domain reveals the mechanism for β-1, 3-glucan-specific recognition

K Takahasi, M Ochiai, M Horiuchi… - Proceedings of the …, 2009 - National Acad Sciences
The β-1, 3-glucan recognition protein (βGRP)/Gram-negative bacteria-binding protein 3
(GNBP3) is a crucial pattern-recognition receptor that specifically binds β-1, 3-glucan, a …

Krit 1 interactions with microtubules and membranes are regulated by Rap1 and integrin cytoplasmic domain associated protein‐1

S Béraud‐Dufour, R Gautier, C Albiges‐Rizo… - The FEBS …, 2007 - Wiley Online Library
The small G protein Rap1 regulates diverse cellular processes such as integrin activation,
cell adhesion, cell–cell junction formation and cell polarity. It is crucial to identify Rap1 …

SABBAC: online Structural Alphabet-based protein BackBone reconstruction from Alpha-Carbon trace

J Maupetit, R Gautier, P Tufféry - Nucleic acids research, 2006 - academic.oup.com
SABBAC is an on-line service devoted to protein backbone reconstruction from alpha-
carbon trace. It is based on the assembly of fragments taken from a library of reduced size …

Improved cryoEM-guided iterative molecular dynamics–Rosetta protein structure refinement protocol for high precision protein structure prediction

S Lindert, JA McCammon - Journal of chemical theory and …, 2015 - ACS Publications
Many excellent methods exist that incorporate cryo-electron microscopy (cryoEM) data to
constrain computational protein structure prediction and refinement. Previously, it was …