Zobrazeno 1 - 10
of 106
pro vyhledávání: '"Jamshed Anwar"'
Publikováno v:
The Egyptian Journal of Radiology and Nuclear Medicine, Vol 53, Iss 1, Pp 1-9 (2022)
Abstract Background Acquired uterine arterial anomalies, including uterine artery pseudoaneurysms (UAP), arteriovenous malformations (AVMs) and arteriovenous fistulae (AFVs), are rare presenting causes of abnormal uterine bleeding. Timely diagnosis i
Externí odkaz:
https://doaj.org/article/20507e834662432da6df4e91f2c96646
Publikováno v:
PeerJ, Vol 10, p e12984 (2022)
Several natural mutants of the human G6PD enzyme exist and have been reported. Because the enzymatic activities of many mutants are different from that of the wildtype, the genetic polymorphism of G6PD plays an important role in the synthesis of nucl
Externí odkaz:
https://doaj.org/article/7bef7d1f65164d648295a3a26bd81dad
Autor:
Nasima Arshad, Muhammad Ismail Mir, Fouzia Perveen, Aneela Javed, Memona Javaid, Aamer Saeed, Pervaiz Ali Channar, Shahid Iqbal Farooqi, Saad Alkahtani, Jamshed Anwar
Publikováno v:
Molecules, Vol 27, Iss 2, p 354 (2022)
Imidazolidine and thiazolidine-based isatin derivatives (IST-01–04) were synthesized, characterized, and tested for their interactions with ds-DNA. Theoretical and experimental findings showed good compatibility and indicated compound–DNA binding
Externí odkaz:
https://doaj.org/article/867114e4e8424e20b71e1367961edc18
Autor:
Joshua T. Horton, Simon Boothroyd, Jeffrey Wagner, Joshua A. Mitchell, Trevor Gokey, David L. Dotson, Pavan Kumar Behara, Venkata Krishnan Ramaswamy, Mark Mackey, John D. Chodera, Jamshed Anwar, David L. Mobley, Daniel J. Cole
Publikováno v:
Journal of Chemical Information and Modeling. 62:5622-5633
The development of accurate transferable force fields is key to realizing the full potential of atomistic modeling in the study of biological processes such as protein-ligand binding for drug discovery. State-of-the-art transferable force fields, suc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2387c62ebc4fa59f79aafda10f1217b8
https://doi.org/10.1021/acs.jcim.2c01153
https://doi.org/10.1021/acs.jcim.2c01153
Publikováno v:
ACS Omega. 7:22032-22038
Recent studies show that curcumin, a naturally fluorescent dye, can be used for the noninvasive optical imaging of retinal amyloid-β (Aβ) plaques. We investigated the molecular basis for curcumin's specificity for hierarchical Aβ structures using
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6995f9c2fbcc543f86cb13ec88630b4
https://doi.org/10.1021/acsomega.2c02995
https://doi.org/10.1021/acsomega.2c02995
Autor:
Lorenzo D’Amore, David F. Hahn, David L. Dotson, Joshua T. Horton, Jamshed Anwar, Ian Craig, Thomas Fox, Alberto Gobbi, Sirish Kaushik Lakkaraju, Xavier Lucas, Katharina Meier, David L. Mobley, Arjun Narayanan, Christina E. M. Schindler, William C. Swope, Pieter J. in ’t Veld, Jeffrey Wagner, Bai Xue, Gary Tresadern
Publikováno v:
J Chem Inf Model
Force fields form the basis for classical molecular simulations and their accuracy is crucial for the quality of, for instance, protein-ligand binding simulations in drug discovery. The huge diversity of small molecule chemistry makes it a challenge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e988b43643d79476b92f3b6827222b57
https://pubmed.ncbi.nlm.nih.gov/36433835
https://pubmed.ncbi.nlm.nih.gov/36433835
Autor:
Joshua Horton, Simon Boothroyd, Jeffrey Wagner, Joshua Mitchell, Trevor Gokey, David Dotson, Pavan Behara, Venkata Ramaswamy, Mark Mackey, John Chodera, Jamshed Anwar, David Mobley, Daniel Cole
The development of accurate transferable force fields is key to realizing the full potential of atomistic modelling in the study of biological processes such as protein--ligand binding for drug discovery. State-of-the-art transferable force fields, s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d15576ddddcf740df7a0345f32f55204
https://doi.org/10.26434/chemrxiv-2022-6h628
https://doi.org/10.26434/chemrxiv-2022-6h628
Publikováno v:
Biophysical Chemistry. 294:106958
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::12e2d65fdd1d2ecd645d8854499d5063
https://doi.org/10.1016/j.bpc.2023.106958
https://doi.org/10.1016/j.bpc.2023.106958
Autor:
Johannes Steinmetzer, Daniel A. Smith, C. David Sherrill, Mark S. Gordon, Nuwan De Silva, Jamshed Anwar, Fang Liu, Henry F. Schaefer, Justin M. Turney, Lee-Ping Wang, Maximilian Scheurer, Annabelle Lolinco, Doaa Altarawy, Jiří Šponer, John D. Chodera, Carlos H. Borca, Rollin A. King, Asem Alenaizan, Jeffrey B. Schriber, David Dotson, Jonathon P. Misiewicz, Heather J. Kulik, Andrew C. Simmonett, Jeffrey R. Wagner, Sebastian J. R. Lee, Theresa L. Windus, Taylor A. Barnes, Peter Kraus, Matthew Welborn, Lori A. Burns, Logan Ward, Andreas Dreuw, Holger Kruse, Devin A. Matthews, Jiyoung Lee, Farhad Ramezanghorbani, Jan Hermann, Roberto Di Remigio, Levi N. Naden, Todd J. Martínez, Joshua T. Horton, John F. Stanton, Sebastian Ehlert, Colton B. Hicks, Adrian G. Hurtado, Zachary L. Glick, Alexander G. Heide, Michael F. Herbst
Publikováno v:
The Journal of chemical physics, vol 155, iss 20
J Chem Phys
J Chem Phys
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could be achieved with a sing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::48b3b4d904ba13577747299327cdf641
https://resolver.caltech.edu/CaltechAUTHORS:20211206-452781343
https://resolver.caltech.edu/CaltechAUTHORS:20211206-452781343
Autor:
Gao Ge, Lin Yangjing, Jamshed Anwar, Wei Zhang, Huanyu Ding, Chen Yizhi, Jiwen Zhang, Zaiyong Zhang, Tao Guo, Li Wu, Siyu He, Hewen Liu, Bello Mubarak Garba
Publikováno v:
Crystal Growth & Design. 19:3888-3894
Transformation of a dense metal–organic framework (MOF) to a highly porous form can radically improve its applications in drug loading. In this study, an environmentally friendly synthesis of potas...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::766d43554ea9c127e0a3aabe43007aa9
https://doi.org/10.1021/acs.cgd.9b00319
https://doi.org/10.1021/acs.cgd.9b00319