Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Vladimir N. Maiorov"'
Autor:
Ying-Duo Gao, Vladimir N. Maiorov, Robert P. Sheridan, M. Katharine Holloway, Wendy D. Cornell
Publikováno v:
Journal of Chemical Information and Modeling. 50:2029-2040
One approach to estimating the "chemical tractability" of a candidate protein target where we know the atomic resolution structure is to examine the physical properties of potential binding sites. A number of other workers have addressed this issue.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f79412d61f86bea87fc557f117812c80
https://doi.org/10.1021/ci100312t
https://doi.org/10.1021/ci100312t
Autor:
Vladimir N. Maiorov, Robert J. DeVita, JeanMarie Lisnock, Roger Meurer, Margarita Garcia-Calvo, Daniel R. McMasters, Herbert G. Bull, Margaret E. McCann, Kobporn L. Howell
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 19:2965-2968
A series of spiroimidazolidinone NPC1L1 inhibitors was discovered by virtual screening of the Merck corporate sample repository using 3D-similarity-based screening. Selection of 330 compounds for testing in an in vitro NPC1L1 binding assay yielded si
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::06d7742eb31ece7523b30d148de97b6c
https://doi.org/10.1016/j.bmcl.2009.04.031
https://doi.org/10.1016/j.bmcl.2009.04.031
Autor:
Wendy D. Cornell, Vladimir N. Maiorov, Stacey R. Lindsley, Constantine Kreatsoulas, Georgia B. McGaughey, Christopher I. Bayly, J. Chris Culberson, Jean‐Francois Truchon, Robert P. Sheridan
Publikováno v:
Journal of Chemical Information and Modeling. 47:1504-1519
Virtual screening benchmarking studies were carried out on 11 targets to evaluate the performance of three commonly used approaches: 2D ligand similarity (Daylight, TOPOSIM), 3D ligand similarity (SQW, ROCS), and protein structure-based docking (FLOG
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6f0cd2b918b79dd1b726830dcf27f77
https://doi.org/10.1021/ci700052x
https://doi.org/10.1021/ci700052x
Autor:
Georgia B. McGaughey, Joseph Shpungin, Constantine Kreatsoulas, Bradley P. Feuston, J. Chris Culberson, Vladimir N. Maiorov
Publikováno v:
Molecular Diversity. 10:341-347
Within a congeneric series of ATP-competitive KDR kinase inhibitors, we determined that the IC(50) values, which span four orders of magnitude, correlated best with the calculated ligand-protein interaction energy using the Merck Molecular Force Fiel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc4bf094251b3d2401e96da82330ea8b
https://doi.org/10.1007/s11030-006-9037-1
https://doi.org/10.1007/s11030-006-9037-1
Publikováno v:
Journal of Chemical Information and Modeling. 45:1017-1023
Flexible ligand docking is a routine part of a modern structure-based lead discovery process. As of today, there are quite a number of commercial docking programs that can be used to screen large databases (hundreds of thousands to millions of compou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::39549e565077ea06d18b13343fb8e40d
https://doi.org/10.1021/ci050089y
https://doi.org/10.1021/ci050089y
Autor:
Vladimir N. Maiorov, Ruben Abagyan
Publikováno v:
Proteins: Structure, Function, and Genetics. 27:410-424
A method for modeling large- scale rearrangements of protein domains con- nected by a single- or a double-stranded linker is proposed. Multidomain proteins mayundergo substantial domain displacements, while their intradomain structure remains essenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ba7facdb63312bf9db574eff7544eac
https://doi.org/10.1002/(sici)1097-0134(199703)27:3<410::aid-prot9>3.0.co
https://doi.org/10.1002/(sici)1097-0134(199703)27:3<410::aid-prot9>3.0.co
Autor:
Vladimir N. Maiorov, Gordon M. Crippen
Publikováno v:
Journal of Molecular Biology. 252:144-151
As the three-dimensional structures of more and more proteins are determined by experiment, discovering substantially novel folding motifs becomes ever rarer. The natural question is how many motifs are there and how many have already been found? In
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::50b87af0b3fe145a36e9e64b8e574769
https://doi.org/10.1006/jmbi.1995.0481
https://doi.org/10.1006/jmbi.1995.0481
Autor:
Vladimir N. Maiorov, Gordon M. Crippen
Publikováno v:
Proteins: Structure, Function, and Genetics. 20:167-173
Over the last few years we have developed an empirical potential function that solves the protein structure recognition problem: given the sequence for an n-residue globular protein and a collection of plausible protein conformations, including the n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8cd55cb5ba258dafcdca2b699839e731
https://doi.org/10.1002/prot.340200206
https://doi.org/10.1002/prot.340200206
Publikováno v:
Proteins. 64(2)
Leukocyte function associated antigen-1 (LFA-1) plays a critical role in T cell migration and has been recognized as a therapeutic target for immune disorders. Several classes of small molecule antagonists have been developed to block LFA-1 interacti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e7a3de67afee01f00bad299e2e0e2bc8
https://pubmed.ncbi.nlm.nih.gov/16705652
https://pubmed.ncbi.nlm.nih.gov/16705652
Autor:
Hee Chul Lee, Paul L. Huang, Hao-Chia Chen, Angela Ng, Philip Lin Huang, Neville R. Kallenbach, Sylvia Lee-Huang, Young-Tae Chang, Vladimir N. Maiorov
Publikováno v:
Biochemistry. 44(12)
We previously reported that lysozyme accounts for anti-HIV activity associated with the beta-core fraction of human chorionic gonadotropin [Lee-Huang, S., Huang, P. L., Sun, Y., Kung, H. F., Blithe, D. L. & Chen, H. C. (1999) Proc Natl Acad Sci U S A
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d6bb82fbdcb432304528e102cd9969b
https://pubmed.ncbi.nlm.nih.gov/15779891
https://pubmed.ncbi.nlm.nih.gov/15779891