Zobrazeno 1 - 10
of 37
pro vyhledávání: '"Edward A Jaeger"'
Autor:
Carrie Wright, Julia A. Haller, Lisa A Hark, Edward A Jaeger, Kathryn Scully, Eileen L. Mayro, David M. Weiss, Michael Waisbourd, Ann P. Murchison, Safa Siraj
Publikováno v:
Journal of Academic Ophthalmology, Vol 09, Iss 01, Pp e13-e20 (2017)
Background Over the past 50 years, there has been a decline in the number of physicians pursuing careers in clinical research. In ophthalmology, the need for clinician-investigators continues to grow with the increasing eye-care demands of the aging
An Integrated Data Management Framework for Drug Discovery – From Data Capturing to Decision Support
Publikováno v:
Current Topics in Medicinal Chemistry. 12:1237-1242
Drug discovery is a highly complex process requiring scientists from wide-ranging disciplines to work together in a well-coordinated and streamlined fashion. While the process can be compartmentalized into well-defined functional domains, the success
Autor:
Maxim Shemanarev, Michael Farnum, Dimitris K. Agrafiotis, Dmitrii N. Rassokhin, Edward P. Jaeger, Victor S. Lobanov, Simson Alex, Sergei Izrailev
Publikováno v:
Journal of Chemical Information and Modeling. 51:3113-3130
Efficient substructure searching is a key requirement for any chemical information management system. In this paper, we describe the substructure search capabilities of ABCD, an integrated drug discovery informatics platform developed at JohnsonJohns
Publikováno v:
Journal of Computational Chemistry. 17:1171-1182
In a continuing effort to provide the computational community with a reference work comparing all of the available conformer searching methods, we have exposed the standard set of small molecules to two commonly used stochastic searching techniques.
Autor:
Jasbir Singh, Mark A. Ator, Adi M. Treasurywala, Swapan Chowdhary, Martin P. Allen, James E. Soloweij, David A. Whipple, Edward P. Jaeger
Publikováno v:
Journal of the American Chemical Society. 118:1669-1676
A genetic algorithms (GA) based strategy is described for the identification or optimization of active leads. This approach does not require the synthesis and evaluation of huge libraries. Instead it involves iterative generations of smaller sample s
Autor:
Carl F. Melius, Edward P. Jaeger, Y. T. Tan, E. Mori, Alan M. Mathiowetz, Adi M. Treasurywala, Richard S. Judson
Publikováno v:
Journal of Computational Chemistry. 16:1405-1419
A genetic algorithm (GA) conformation search method is used to dock a series of flexible molecules into one of three proteins. The proteins examined are thermolysin (tmn), carboxypeptidase A (cpa), and dihydrofolate reductase (dfr). In the latter two
Publikováno v:
Ophthalmic Surgery, Lasers and Imaging Retina. 26:542-548
* BACKGROUND AND OBJECTIVES: The effectiveness of air bags as a safety device in decreasing fatalities and reducing morbidity in frontal impact motor vehicle accidents has been well established. However, case reports have surfaced documenting ocular
Autor:
Edward P. Jaeger, Madhusudhan R. Gowravaram, Adi M. Treasurywala, Bruce E. Tomczuk, Arup K. Ghose, John J. Wendoloski, Robert C. Wahl, Logan Margaret Elizabeth, Haiyan Wang
Publikováno v:
Journal of the American Chemical Society. 117:4671-4682
Publikováno v:
The Journal of Trauma: Injury, Infection, and Critical Care. 38:494-497
OBJECTIVE: The purpose of this report is to detail three cases of serious ocular injury associated with eyeglass wear during airbag inflation following motor vehicle crashes. DESIGN: Although there were too few cases to provide valid statistics, an a
Publikováno v:
Journal of Computer-Aided Molecular Design. 9:55-64
A method has been developed that allows one to drive a molecule to conformations of lowest energy given the starting conformation, the identity of the rotatable bonds and the step size. This method has proved useful in our hands in the drug design ar