Zobrazeno 1 - 10
of 77
pro vyhledávání: '"Terry R. Stouch"'
Publikováno v:
Drug Discovery Today. 26:1107-1110
We describe 11 best practices for the successful use of Artificial Intelligence and Machine Learning in the pharmaceutical and biotechnology research, on the data, technology, and organizational management levels.
Autor:
Scott A. Johnson, Terry R. Stouch, M. Katharine Holloway, Chris L. Waller, Dimitris K. Agrafiotis, Alexander Tropsha, Charles H. Reynolds
Publikováno v:
Journal of Computer-Aided Molecular Design. 32:723-729
Publikováno v:
Journal of Computer-Aided Molecular Design. 32:313-319
David Weininger’s career, accomplishments, genius, and friendship are warmly remembered by several of his colleagues, friends, and admirers.
Autor:
Terry R. Stouch
Publikováno v:
Journal of computer-aided molecular design. 33(2)
Autor:
Richard A. Lewis, Terry R. Stouch, Gabriele Cruciani, Federico Gago, Yvonne C. Martin, Andy Vinter
This editorial discusses the foundation of aspects of computational chemistry and is a tribute to Peter Goodford, one of those founders, who recently passed away. Several colleagues describe Professor Goodford's work and the person himself.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de7cf87d513c7b5bf8fb2818904eff14
http://hdl.handle.net/11391/1455692
http://hdl.handle.net/11391/1455692
Autor:
Bryce Alden Harrison, Lakshman Samala, Nita Patel, Zheng Y. Almstead, N. Andrew Whitlock, Ross Mabon, Dennis S. Rice, Nicole Cathleen Goodwin, Beth McKnight, Yulian Zhang, Jason P. Healy, Shuli Wang, Suma Gopinathan, Gardyan Michael Walter, David B. Rawlins, Alan Wilson, Terry R. Stouch, Ying Liu, Brian D. Hamman, Brett A. Marinelli, Hugh Alfred Burgoon
Publikováno v:
ACS Medicinal Chemistry Letters. 6:84-88
The structure of LX7101, a dual LIM-kinase and ROCK inhibitor for the treatment of ocular hypertension and associated glaucoma, is disclosed. Previously reported LIM kinase inhibitors suffered from poor aqueous stability due to solvolysis of the cent
Autor:
Terry R. Stouch
Publikováno v:
Journal of computer-aided molecular design. 31(3)
This piece describes the approach by which even a small CADD (Computer-Aided Drug Design) group with limited resources and limited time can achieve substantial success given short budgets and the compressed, urgent environment of a biotech. Some comp
Publikováno v:
Chemical Research in Toxicology. 27:99-110
The inactivation of acetylcholinesterase (AChE) by organophosphorus agent (OP) compounds is a serious problem regardless of how the individual was exposed. The reactivation of OP-inactivated AChE is dependent on the OP conjugate, and commonly a speci
Autor:
Emilio Xavier Esposito, Jason A. Berberich, Sankar Manepalli, Terry R. Stouch, Jeffry D. Madura
Publikováno v:
Chemical research in toxicology. 29(9)
There is a pressing need for new therapeutics to reactivate covalently inactivated acetylcholinesterase (AChE) due to exposure to organophosphorus (OP) compounds. Current reactivation therapeutics (RTs) are not broad-spectrum and suffer from other li
Autor:
Oliver S. Smart, Paul Emsley, Cary B. Bauer, David A. Case, John L. Markley, Joseph Marcotrigiano, Jasmine Young, Atsushi Nakagawa, Seth F. Harris, Haruki Nakamura, Wolfram Tempel, Radka Svobodová, T. Krojer, Pamela A. Williams, Robert T. Nolte, Catherine E. Peishoff, Jorg Hendle, Chenghua Shao, Jeff Blaney, Dale E. Tronrud, Paul D. Adams, Randy J. Read, Marc C. Nicklaus, Kirk Clark, Helen M. Berman, Jeffrey A. Bell, Evan E Bolton, Suzanna C. Ward, Stephen K. Burley, Alan E. Mark, Garib N. Murshudov, Victoria A. Feher, Matthew T. Miller, John Spurlino, Sameer Velankar, Steven Sheriff, Tom Darden, Wladek Minor, Talapady N. Bhat, John D. Westbrook, Gerard J. Kleywegt, Terry R. Stouch, Huanwang Yang, Gérard Bricogne, Thomas C. Terwilliger, Anil K. Padyana, Zukang Feng, Colin R. Groom, Andrzej Joachimiak, David G. Brown, Anthony Nicholls, Gaetano T. Montelione, Thomas Holder, Kathleen Aertgeerts, Stephen M. Soisson, Gregory L. Warren, Susan Pieniazek
Publikováno v:
Structure (London, England : 1993), vol 24, iss 4
Adams, PD; Aertgeerts, K; Bauer, C; Bell, JA; Berman, HM; Bhat, TN; et al.(2016). Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop. Structure, 24(4), 502-508. doi: 10.1016/j.str.2016.02.017. Lawrence Berkeley National Laboratory: Lawrence Berkeley National Laboratory. Retrieved from: http://www.escholarship.org/uc/item/42h5d920
Adams, PD; Aertgeerts, K; Bauer, C; Bell, JA; Berman, HM; Bhat, TN; et al.(2016). Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop. Structure, 24(4), 502-508. doi: 10.1016/j.str.2016.02.017. Lawrence Berkeley National Laboratory: Lawrence Berkeley National Laboratory. Retrieved from: http://www.escholarship.org/uc/item/42h5d920
Crystallographic studies of ligands bound to biological macromolecules (proteins and nucleic acids) represent\ud an important source of information concerning drug-target interactions, providing atomic level insights\ud into the physical chemistry of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e2fa7fc51624930579bc888e19578253
https://www.repository.cam.ac.uk/handle/1810/254110
https://www.repository.cam.ac.uk/handle/1810/254110