Zobrazeno 1 - 10
of 51
pro vyhledávání: '"Boryeu Mao"'
Autor:
Sandra Merrick, Frédérique Barbosa, Nicolas Froloff, Boryeu Mao, Wei Shi, Kelly Kamm, Cheryl Wu, Rafael Gozalbes, Eric Wong, Jacques Migeon, Chester Costales
Publikováno v:
Journal of Chemical Information and Modeling. 46:2125-2134
We report the QSAR modeling of cytochrome P450 3A4 (CYP3A4) enzyme inhibition using four large data sets of in vitro data. These data sets consist of marketed drugs and drug-like compounds all tested in four assays measuring the inhibition of the met
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f5e4c22145439ec52828e36a0cb57087
https://doi.org/10.1021/ci0600915
https://doi.org/10.1021/ci0600915
Autor:
Catherine Rolland, Dragos Horvath, Laurent Coussy, Rafael Gozalbes, Frédéric Revah, Nicolas Froloff, Marie-France Paugam, Eric Nicolaï, Frédérique Barbosa, Boryeu Mao
Publikováno v:
QSAR & Combinatorial Science. 24:508-516
An innovative approach has been developed in order to construct new GPCR focused libraries. Experimental binding data generated in house from 1939 diverse drug and drug-like compounds on 40 GPCR targets were used to develop and validate a "global GPC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::19f6c95f5da7bd4ccae31c890960f49d
https://doi.org/10.1002/qsar.200430932
https://doi.org/10.1002/qsar.200430932
Publikováno v:
Chemoinformatics in Drug Discovery
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::25b1e88076b049926c4561b8ce8f57d8
https://doi.org/10.1002/3527603743.ch5
https://doi.org/10.1002/3527603743.ch5
Autor:
Dragos Horvath, Boryeu Mao
Publikováno v:
QSAR & Combinatorial Science. 22:498-509
The similarity principle, stating that molecules of similar structure behave similarly, is an important concept in medicinal chemistry. A properly characterized and well-understood neighborhood behavior of the structural space versus the activity spa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e923a4a5e5c18b1456f8235d0486ce51
https://doi.org/10.1002/qsar.200310002
https://doi.org/10.1002/qsar.200310002
Autor:
Boryeu Mao, et al. et al.
Publikováno v:
ChemInform. 37
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2946c850a35948ceac9160b73bfa70a3
https://doi.org/10.1002/chin.200649224
https://doi.org/10.1002/chin.200649224
Autor:
Annie Otto-Bruc, Sandra Merrick, Philippe Dupuis, Nicolas Froloff, Boryeu Mao, Jacques Migeon, Valérie Hamon
Publikováno v:
Chemogenomics: Knowledge-based Approaches to Drug Discovery
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5bab965432ec7132415bcc5618b9c99c
https://doi.org/10.1142/9781860948114_0008
https://doi.org/10.1142/9781860948114_0008
Publikováno v:
Journal of Pharmacological and Toxicological Methods. 68:e18-e19
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d79c2649791244d780ea8b56f2472c82
https://doi.org/10.1016/j.vascn.2013.01.074
https://doi.org/10.1016/j.vascn.2013.01.074
Autor:
Cecile M, Krejsa, Dragos, Horvath, Sherri L, Rogalski, Julie E, Penzotti, Boryeu, Mao, Frédérique, Barbosa, Jacques C, Migeon
Publikováno v:
Current opinion in drug discoverydevelopment. 6(4)
Computational methods are increasingly used to streamline and enhance the lead discovery and optimization process. However, accurate prediction of absorption, distribution, metabolism and excretion (ADME) and adverse drug reactions (ADR) is often dif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0bcd7ce6338b86dfc9f5255b2c50ec38
https://pubmed.ncbi.nlm.nih.gov/12951810
https://pubmed.ncbi.nlm.nih.gov/12951810
Autor:
Alan R. Friedman, Boryeu Mao
Publikováno v:
Biophysical Journal. 58(3):803-805
A molecular dynamics-based simulation method in which atomic masses are weighted is described. Results from this method showed that the capability for conformation search in molecular dynamics simulation of a short peptide (FMRF-amide) is significant
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c79af23b049a9bb4d3e22c2bfe7343b6
Publikováno v:
Protein engineering. 7(3)
The amino acid composition of globular proteins of known tertiary structures is analyzed for the classification of the folding classes of protein structures and for a description of their relationship which can be useful in the determination of the f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5c37e13ffbc43a9e9983d01a2fd89b8e
https://pubmed.ncbi.nlm.nih.gov/8177880
https://pubmed.ncbi.nlm.nih.gov/8177880