Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Bruce L. Bush"'
Publikováno v:
Journal of Computational Chemistry. 21:132-146
The AM1-BCC method quickly and efficiently generates high-quality atomic charges for use in condensed-phase simulations. The underlying features of the electron distribution including formal charge and delocalization are first captured by AM1 atomic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ca7fb9cfef60478d00556de5439290a8
https://doi.org/10.1002/(sici)1096-987x(20000130)21:2<132::aid-jcc5>3.0.co
https://doi.org/10.1002/(sici)1096-987x(20000130)21:2<132::aid-jcc5>3.0.co
Publikováno v:
Journal of Computational Chemistry. 20:1495-1516
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5fe06724151f34ffff33dc8af3e27fbf
https://doi.org/10.1002/(sici)1096-987x(19991115)20:14<1495::aid-jcc3>3.0.co
https://doi.org/10.1002/(sici)1096-987x(19991115)20:14<1495::aid-jcc3>3.0.co
Publikováno v:
Journal of Computer-Aided Molecular Design. 8:323-340
Trend vector analysis [Carhart, R.E. et al., J. Chem. Inf. Comput. Sci., 25 (1985) 64], in combination with topological descriptors such as atom pairs, has proved useful in drug discovery for ranking large collections of chemical compounds in order o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::309cc3a1230f06acdcad545fccfe8ead
https://doi.org/10.1007/bf00126749
https://doi.org/10.1007/bf00126749
Autor:
Bruce L. Bush, Robert B. Nachbar
Publikováno v:
Journal of Computer-Aided Molecular Design. 7:587-619
Three-dimensional molecular modeling can provide an unlimited number m of structural properties. Comparative Molecular Field Analysis (CoMFA), for example, may calculate thousands of field values for each model structure. When m is large, partial lea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f8b14a549ce598f873f376185564df9e
https://doi.org/10.1007/bf00124364
https://doi.org/10.1007/bf00124364
Autor:
Bruce L. Bush, Robert P. Sheridan
Publikováno v:
Journal of Chemical Information and Computer Sciences. 33:756-762
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc0722ad831af17f9d0ff31d7c938a18
https://doi.org/10.1021/ci00015a015
https://doi.org/10.1021/ci00015a015
Autor:
H J Zweerink, William E. Biddison, Maureen C. Gammon, Samir Y. Sauma, Julio C. Hawkins, Bruce L. Bush, Snehal Tamhankar, Maria A. Bednarek, Gene Porter, Alan R. Williamson, Barry R. Cunningham, Jeffrey D. Hermes
Publikováno v:
Human Immunology. 37:252-258
Experiments were carried out to determine whether complexes between MHC class I molecules and synthetic peptides are representative of those formed under more physiologically relevant conditions, with peptides derived intracellularly from processed a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e9df80d8f31760299a2dc2c3d0c1e0c
https://doi.org/10.1016/0198-8859(93)90508-x
https://doi.org/10.1016/0198-8859(93)90508-x
Autor:
Richard A. Blevins, Theresa Zhang, Bruce L. Bush, Alex Elbrecht, Wenqing Zhao, Jeffrey Yuan, Yuan Liu
Publikováno v:
Bioinformatics (Oxford, England). 20(9)
Motivation: Many bioinformatic approaches exist for finding novel genes within genomic sequence data. Traditionally, homology search-based methods are often the first approach employed in determining whether a novel gene exists that is similar to a k
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0441bd8bc05a80397d15acb04000e114
https://pubmed.ncbi.nlm.nih.gov/14976033
https://pubmed.ncbi.nlm.nih.gov/14976033
Publikováno v:
Journal of Computational Chemistry; 23(3), pp 351-364 (2002)
Various methods for deriving atomic partial charges from the quantum chemical electrostatic potential and moments have been tested for the sucrose molecule. We show that if no further information is used, the charges on some carbon atoms become large
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cee932dda9f54d33a83d05142e2d537b
https://pubmed.ncbi.nlm.nih.gov/11908498
https://pubmed.ncbi.nlm.nih.gov/11908498
Autor:
John F. O'Connell, Gregory C. Cuca, Scott P. Salowe, James P. Springer, Bruce A. Johnson, Paul R. Gooley, Bruce L. Bush, William K. Hagmann, Craig K. Esser, Jeffrey D. Hermes, Alice I. Marcy
Publikováno v:
Nature structural biology. 1(2)
The three-dimensional structure of the catalytic domain of stromelysin-1 complexed with an N-carboxyl alkyl inhibitor has been determined by NMR methods. The global fold consists of three helices, a five stranded beta-sheet and a methionine located i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fbbe9dbe09c7b629f0c90cffacf4fe5a
https://pubmed.ncbi.nlm.nih.gov/7656014
https://pubmed.ncbi.nlm.nih.gov/7656014
Autor:
George P. Vlasuk, Jan tenBroeke, Robert J. Lynch, Bruce L. Bush, M. Katharine Holloway, Daniel F. Veber, Karst Hoogsteen, James P. Springer, Linda S. Payne, William J. Greenlee, Peter D. Williams, John J. Doyle, Thomas A. Halgren, Anthony D. Richards, Debra S. Perlow, John F. Strouse, John Kay, Terry W. Schorn, Peter K. S. Siegl
Publikováno v:
Advances in Experimental Medicine and Biology ISBN: 9781468460148
The clinical efficacy of converting enzyme inhibitors1 for reducing blood pressure in a large percentage of hypertensive patients has aroused considerable interest in developing agents that interrupt the renin-angiotensin system at other points, for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20c2deec8c834c0a8e7ed2e912715a41
https://doi.org/10.1007/978-1-4684-6012-4_38
https://doi.org/10.1007/978-1-4684-6012-4_38
