Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Polo Chun-Hung Lam"'
Autor:
Ola A Elgamal, James R Lerma, Allison Mullaney, Emily Stahl, Blaise Stearns, Andrew Orry, Polo Chun-Hung Lam, Ruben Abagyan, Alexei Pushechnikov, Nikolay Savchuk, Volodymyr Kysil, Hovhannes Gukasyan, Iain Dukes, Oleg Mitkin, Ruben Karapetian, Alexei Riakhovskii, Elena Bulanova, Vladislav Parchinsky, Alexandre Ivachtchenko, Sharyn Baker, Erin Hertlein, John C. Byrd
Publikováno v:
Blood. 140:3352-3353
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3a88862741dae20c656d2b888fdbd69d
https://doi.org/10.1182/blood-2022-165675
https://doi.org/10.1182/blood-2022-165675
Publikováno v:
Journal of computer-aided molecular design. 33(12)
Macrocycles represent a potentially vast extension of drug chemical space still largely untapped by synthetic compounds. Sampling of flexible rings is incorporated in the ICM-dock protocol. We tested the ability of ICM-dock to reproduce macrocyclic l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::649b6e80df7505f24ea48071c21f86c0
https://pubmed.ncbi.nlm.nih.gov/31598897
https://pubmed.ncbi.nlm.nih.gov/31598897
Publikováno v:
Journal of computer-aided molecular design. 33(1)
In context of D3R Grand Challenge 3 we have investigated several ligand activity prediction protocols that combined elements of a physics-based energy function (ICM VLS score) and the knowledge-based Atomic Property Field 3D QSAR approach. Activity p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57bf3b9c057c0d3de8e32578b02a2bba
https://pubmed.ncbi.nlm.nih.gov/30094533
https://pubmed.ncbi.nlm.nih.gov/30094533
Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach
Publikováno v:
Journal of computer-aided molecular design, vol 32, iss 1
Journal of Computer-Aided Molecular Design
Journal of Computer-Aided Molecular Design
Ligand docking to flexible protein molecules can be efficiently carried out through ensemble docking to multiple protein conformations, either from experimental X-ray structures or from in silico simulations. The success of ensemble docking often req
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::170ccee64783e3f8415e3914be1cb02f
https://escholarship.org/uc/item/52c8k799
https://escholarship.org/uc/item/52c8k799
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 78:197-211
Proteins of the G-protein coupled receptor (GPCR) family present numerous attractive targets for rational drug design, but also a formidable challenge for identification and conformational modeling of their 3D structure. A recently performed assessme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ff2d74f8c803512a3e28fa9bee7f519d
https://doi.org/10.1002/prot.22507
https://doi.org/10.1002/prot.22507
Autor:
Marco A. C. Neves, Yun Chung Leung, Ning Sun, Fung-Yi Chan, Wai Hong Chung, Kwok Yin Wong, Tak Hang Chan, Ruben Abagyan, Dik-Lung Ma, Pak Ho Chan, Polo Chun Hung Lam, Ho Yin Chow, Lai King Wong
Publikováno v:
Journal of chemical information and modeling. 53(8)
The Filamenting temperature-sensitive mutant Z (FtsZ), an essential GTPase in bacterial cell division, is highly conserved among Gram-positive and Gram-negative bacteria and thus considered an attractive target to treat antibiotic-resistant bacterial
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e0c9ba93dae0fbaefabeb768f49f92cf
https://pubmed.ncbi.nlm.nih.gov/23848971
https://pubmed.ncbi.nlm.nih.gov/23848971
Publikováno v:
Proteins. 78(1)
Proteins of the G-protein coupled receptor (GPCR) family present numerous attractive targets for rational drug design, but also a formidable challenge for identification and conformational modeling of their 3D structure. A recently performed assessme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::cba7ce667b64afc41f7dcb4dd408fc7c
https://pubmed.ncbi.nlm.nih.gov/20063437
https://pubmed.ncbi.nlm.nih.gov/20063437
Autor:
James M. Mutunga, Jeffrey R. Bloomquist, Qian Han, Qiao-Hong Chen, Jianyong Li, Astha Verma, Ania Wysinski, Tiffany L. Carpenetti, Paul R. Carlier, Haizhen Ding, Troy D. Anderson, Sally L. Paulson, Maxim Totrov, Dawn M. Wong, Polo Chun Hung Lam, Rafique Islam
Publikováno v:
PLoS ONE, Vol 7, Iss 10, p e46712 (2012)
PLoS ONE
PLoS ONE
Acetylcholinesterase (AChE) is a proven target for control of the malaria mosquito (Anopheles gambiae). Unfortunately, a single amino acid mutation (G119S) in An. gambiae AChE-1 (AgAChE) confers resistance to the AChE inhibitors currently approved by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25c8dcf8de89916fb75b275e910af593
https://doi.org/10.1371/journal.pone.0046712
https://doi.org/10.1371/journal.pone.0046712