Carlos A Del Carpio
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Explore the profile of Carlos A Del Carpio including associated specialties, affiliations and a list of published articles.
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16
Citations
136
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Recent Articles
1.
Lensink M, Brysbaert G, Raouraoua N, Bates P, Giulini M, Honorato R, et al.
Proteins
. 2023 Oct;
91(12):1658-1683.
PMID: 37905971
We present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3...
2.
Lensink M, Velankar S, Kryshtafovych A, Huang S, Schneidman-Duhovny D, Sali A, et al.
Proteins
. 2016 Apr;
84 Suppl 1:323-48.
PMID: 27122118
We present the results for CAPRI Round 30, the first joint CASP-CAPRI experiment, which brought together experts from the protein structure prediction and protein-protein docking communities. The Round comprised 25...
3.
Rauf S, Ismael M, Sahu K, Suzuki A, Koyama M, Tsuboi H, et al.
Comput Biol Med
. 2010 Apr;
40(5):498-508.
PMID: 20403587
In this study we have undertaken the theoretical analysis of the effect of R249S carcinogenic and H168R-R249S suppressor mutation at core domain of the tumor suppressor protein p53, on its...
4.
Onodera T, Morita Y, Suzuki A, Sahnoun R, Koyama M, Tsuboi H, et al.
J Nanosci Nanotechnol
. 2010 Apr;
10(4):2495-502.
PMID: 20355453
Using a hybrid quantum chemical/classical molecular dynamics method, we have studied the tribochemical reaction dynamics of molybdenum dithiocarbamate (MoDTC), a commonly used friction modifier in automobile engine oils. MoDTC molecule...
5.
Lv C, Ogiyal K, Suzuki A, Sahnoun R, Koyama M, Tsuboi H, et al.
J Nanosci Nanotechnol
. 2010 Apr;
10(4):2434-43.
PMID: 20355445
As the most reactive surface, the stoichiometric O-bridge terminated anatase(001) surface attracted considerable attentions in many application fields. The interfacial electron transfer in dye-sensitized anatase(001) plays a principal role in...
6.
Shaikh A, Sahnoun R, Broclawik E, Koyama M, Tsuboi H, Hatakeyama N, et al.
J Inorg Biochem
. 2008 Oct;
103(1):20-7.
PMID: 18848727
Since morpholine oxidation has recently been shown to involve Cytochrome P450, the study on its mechanism at molecular level using quantum chemical calculations for the model of cytochrome active site...
7.
Del Carpio C, Qiang P, Ichiishi E, Tsuboi H, Koyama M, Hatakeyama N, et al.
Genome Inform
. 2007 May;
17(2):270-8.
PMID: 17503399
A novel algorithm is introduced to deal with intra-molecular motions of loops and domains that undergo proteins at interaction with other proteins. The methodology is based on complex energy landscape...
8.
Shaikh A, Broclawik E, Tsuboi H, Koyama M, Endou A, Takaba H, et al.
J Mol Model
. 2007 Mar;
13(6-7):851-60.
PMID: 17387527
The metabolism mechanism of (S)-N-[1-(3-morpholin-4ylphenyl)ethyl]-3-phenylacrylamide, mediated by CYP3A4 Cytochrome has been investigated by density functional QM calculations aided with molecular mechanics/molecular dynamics simulations. Two different orientations of phenyl ring for...
9.
Koyama M, Tsuboi H, Endou A, Takaba H, Kubo M, Del Carpio C, et al.
Comb Chem High Throughput Screen
. 2007 Feb;
10(2):99-110.
PMID: 17305485
Computational chemistry can provide fundamental knowledge regarding various aspects of materials. While its impact in scientific research is greatly increasing, its contributions to industrially important issues are far from satisfactory....
10.
Goryo K, Suzuki A, Del Carpio C, Siizaki K, Kuriyama E, Mikami Y, et al.
Biochem Biophys Res Commun
. 2007 Jan;
354(2):396-402.
PMID: 17227672
The Ah receptor (AhR) is a ligand-activated transcription factor. Five amino acids as candidate amino acids necessary for ligand binding within or near the ligand-binding domain were selected based on...