Zobrazeno 1 - 10
of 17
pro vyhledávání: '"Morgan Lawrenz"'
Autor:
Morgan Lawrenz, Mats Svensson, Mitsunori Kato, Karen Dingley, Jackson Chief Elk, Zhe Nie, Yefen Zou, Zachary Kaplan, H. Rachel Lagiakos, Hideyuki Igawa, Eric Therrien
The blood-brain barrier (BBB) plays a critical role in preventing harmful endogenous and exogenous substances from penetrating the brain. Optimal brain penetration of small molecule CNS drugs is characterized by a high unbound brain/plasma ratio (Kp,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::35971fc91b5f6bdf155f34769aaa5326
https://doi.org/10.26434/chemrxiv-2023-26xd8
https://doi.org/10.26434/chemrxiv-2023-26xd8
Autor:
Wu Yin, Zhe Nie, Karen Dingley, Michael Trzoss, Goran Krilov, Netonia Marshall, Shulu Feng, Robert Pelletier, Jeff Bell, Paul Devine, Peter Skrdla, Roman Shimanovich, Min Ye, David Calkins, Mary Grimes, Wayne Tang, Andrew Placzek, Morgan Lawrenz, Fiona McRobb, Aleksey Gerasyuto, Victoria Feher, Sayan Mondal, Kristian Jensen, Hamish Wright, Daniel Weiss, Karen Akinsanya
Publikováno v:
Blood. 138:1187-1187
Introduction: MALT1 (mucosa-associated lymphoid tissue lymphoma translocation protein 1) is a key mediator of the NF-κB signaling pathway, the main driver of a subset of B-cell lymphomas and functions by forming a complex with CARMA1 and BCL10 to me
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32f2170e0b6b0b1b555037cf159c1831
https://doi.org/10.1182/blood-2021-153159
https://doi.org/10.1182/blood-2021-153159
Autor:
Kristian Jensen, Wayne Tang, Mary Grimes, David Calkins, W. George Lai, Sayan Mondal, Victoria A. Feher, Jeff Bell, Wu Yin, Fiona M. McRobb, Shulu Feng, Michael Trzoss, Goran Krilov, Hamish Wright, Andrew Placzek, Robert Pelletier, Morgan Lawrenz, Nie Zhe, Aleksey Gerasyuto, Karen Akinsanya
Publikováno v:
Blood. 136:30-30
Introduction: MALT1 (mucosa-associated lymphoid tissue lymphoma translocation protein 1), was identified as a translocation protein fused with cIAP2 in mucosa-associated lymphoid tissue (MALT) B cell lymphomas. MALT1, a key mediator of NF-κB signali
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eb01c8f81a6d5bd57cabeffa46499596
https://doi.org/10.1182/blood-2020-141146
https://doi.org/10.1182/blood-2020-141146
Autor:
Diwakar Shukla, Dan Belov, Vijay S. Pande, David E. Konerding, Russ B. Altman, Kai Kohlhoff, Gregory R. Bowman, Morgan Lawrenz
Publikováno v:
Nature chemistry
Simulations can provide tremendous insight into the atomistic details of biological mechanisms, but micro- to millisecond timescales are historically only accessible on dedicated supercomputers. We demonstrate that cloud computing is a viable alterna
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f3000f9cc17a8c83723d049655498983
https://doi.org/10.1038/nchem.1821
https://doi.org/10.1038/nchem.1821
Recent molecular dynamics (MD) simulations of the catalytic domain of the c-Src kinase revealed intermediate conformations with a potentially druggable allosteric pocket adjacent to the C-helix, bound by 8-anilino-1-naphthalene sulfonate. Towards con
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::73e43943856acc387d3ff1f168fe61c5
https://doi.org/10.1101/038323
https://doi.org/10.1101/038323
Publikováno v:
Journal of Chemical Theory and Computation. 7:2224-2232
The independent trajectory thermodynamic integration (IT-TI) approach (Lawrenz et. al J. Chem. Theory. Comput. 2009, 5:1106-1116(1)) for free energy calculations with distributed computing is employed to study two distinct cases of protein-ligand bin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::949e643376bf7a436ee27a7f03e5162e
https://doi.org/10.1021/ct200230v
https://doi.org/10.1021/ct200230v
Autor:
Jeff Wereszczynski, Morgan Lawrenz, Adrian E. Roitberg, J. Andrew McCammon, Rommie E. Amaro, Ross C. Walker
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 78:2523-2532
The highly pathogenic influenza strains H5N1 and H1N1 are currently treated with inhibitors of the viral surface protein neuraminidase (N1). Crystal structures of N1 indicate a conserved, high affinity calcium binding site located near the active sit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2e210f901a1b01209d5518458ae40681
https://doi.org/10.1002/prot.22761
https://doi.org/10.1002/prot.22761
Publikováno v:
Methods in enzymology. 557
G-protein-coupled receptors (GPCRs) are a versatile family of membrane-bound signaling proteins. Despite the recent successes in obtaining crystal structures of GPCRs, much needs to be learned about the conformational changes associated with their ac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::cec2a0c0cb5604340dbc1cef4127b87c
https://pubmed.ncbi.nlm.nih.gov/25950981
https://pubmed.ncbi.nlm.nih.gov/25950981
Publikováno v:
Scientific Reports
We describe an innovative protocol for ab initio prediction of ligand crystallographic binding poses and highly effective analysis of large datasets generated for protein-ligand dynamics. We include a procedure for setup and performance of distribute
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67d8d6321b37e89acb05b5f8cccae6c3
G-protein-coupled receptors (GPCRs) are a versatile family of membrane-bound signaling proteins. Despite the recent successes in obtaining crystal structures of GPCRs, much needs to be learned about the conformational changes associated with their ac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2a4b94b65343a381d150355b82dba298
https://doi.org/10.1016/bs.mie.2014.12.007
https://doi.org/10.1016/bs.mie.2014.12.007