[PDF] Top 20 ProPOSE: direct exhaustive protein–protein docking with side chain flexibility
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ProPOSE: direct exhaustive protein–protein docking with side chain flexibility
... of protein−protein docking can be found in recent ...for direct exhaustive sampling at the same resolution as FFT. Direct sampling with such fine granularity has previously ... Voir le document complet
11
Protein–ligand binding free energies from exhaustive docking
... Val111 side chain in the binding cavity relative to the ...interference with the ...out with the Val111 side chain prerotated. The Val111 side chain was also ... Voir le document complet
9
Enhancing systematic protein-protein docking methods using ray casting: Application to ATTRACT
... ing flexibility (first flexible side-chains, followed by flexible ...exposed side-chains on the unbound proteins (as proposed in [3]) and then produce docked complexes of such simplified models using ... Voir le document complet
40
In Silico Peptide Ligation: Iterative Residue Docking and Linking as a New Approach to Predict Protein-Peptide Interactions
... obtaining direct experimental structural biology data, prediction of those interactions is of crucial interest for the rational development of new drugs, notably to fight diseases, such as cancer or Alzheimer’s ... Voir le document complet
15
A Crystal Structure of the Dengue Virus NS5 Protein Reveals a Novel Inter-domain Interface Essential for Protein Flexibility and Virus Replication
... of direct molecular interactions [ 12 ...the side-chain chemistry that may impact the folding and overall architecture of the mutants and limit the interpretations of these ...proteins with ... Voir le document complet
28
Generating functional protein variants with variational autoencoders
... of protein sequence databases provides an opportunity for new protein design approaches which seek to learn the sequence-function relationship directly from nat- ural sequence ...on protein sequence ... Voir le document complet
24
Rosuvastatin in Patients with Elevated C-Reactive Protein
... compared with the placebo group, the number of deaths from cardiovascular causes was not significantly reduced (31 ...odds with extensive data from pre- vious statin ...C-reactive protein. However, ... Voir le document complet
5
Aligning Protein-Coding Nucleotide Sequences with MACSE
... Another set of options concerns the costs used to compare alternative alignments and select the best one. Like most alignment software, MACSE lets users tune the ratio between gap extension cost and gap opening cost. ... Voir le document complet
29
Finding Protein Family Similarities in Real Time Through Multiple 3D and 2D Representations, Indexing and Exhaustive Searching
... ICAT protein structures, our system also found additional family members which have not yet been classified in the SCOP ...the protein structure of the Western graylag goose (1xwo) is found in position 4, ... Voir le document complet
8
Protein beta-turn assignments.: Protein beta-turn assignments
... of protein structures in terms of secondary structures is widely used for analysis or prediction ...concerned with amide- amide interactions ...distances with distances in idealized secondary ... Voir le document complet
4
Balancing cost and flexibility in Supply Chain
... discussions with Argon Consulting’s clients show that it is difficult to quantify the setup ...dealing with scheduling at the tactical level is to define an average setup ...We propose to model ... Voir le document complet
163
Rim1 modulates direct G-protein regulation of Ca(v)2.2 channels.
... (top panels) and after 10 µM DAMGO application (bottom panels). Figure 2B shows the corresponding mean peak Ba 2+ current density as a function of membrane potential before (filled circles) and after DAMGO application ... Voir le document complet
26
Analysis of protein contacts into Protein Units.
... the protein size or its class. Moreover, it has been shown that Protein peeling is a relevant tool to characterize protein ends which can be considered as mobile for half of the ...of protein ... Voir le document complet
38
Flexibility and hydration of amphiphilic hyperbranched arabinogalactan-protein from plant exudate: a volumetric perspective
... coupled with multiangle light scattering (SEC-MALS), high resolution microscopic and small angle x-rays scattering (SAXS) and small angle neutron scattering (SANS) experiments, the structure of these fractions was ... Voir le document complet
26
Protein enriched pasta : impact of protein network structure on the in-vitro protein digestibility
... produced with durum wheat ...acids. Protein enriched (17%) pasta with better amino acid profile were produced using 35% faba bean flour or 5% egg white ...their protein network was studied ... Voir le document complet
3
Designing helical peptide inhibitors of protein–protein interactions
... envelope protein gp41, which includes two helical segments, N-terminal and C-terminal, each of which can potentially be used as a starting point for inhibitor ...peptides with low sequence identity to ... Voir le document complet
18
Large-scale prediction of protein-protein interactions from structures
... manipulate protein 3D structures in the context of a machine learning ...issue with kernel methods such as SVMs ...we propose two learning algorithms that can be combined with two pos- sible ... Voir le document complet
10
Protein Peeling 2: a web server to convert protein structures into series of protein units.
... is also given (cf. Figure 2g) with the corresponding colors. The precise position of the different PUs is also given in text form with the corresponding Compaction Index (CI), i.e. the index that quantifies ... Voir le document complet
11
The value of Markov chain games with lack of information on one side
... Markov chain, and at the beginning of each stage is observed by player 1 ...Markov chain games with lack of information on one side, since here also only player 2’s information is ...game ... Voir le document complet
34
The current landscape of coronavirus-host protein-protein interactions
... in protein export were targeted together with components of the unfolded pro- tein response/endoplasmic-reticulum-associated protein degradation (ERAD) ...line with numerous reports showing ... Voir le document complet
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