Zobrazeno 1 - 10
of 54
pro vyhledávání: '"David J. Diller"'
Autor:
Rajiv Gandhi Govindaraj, Sundar Thangapandian, Michael Schauperl, Rajiah Aldrin Denny, David J. Diller
Publikováno v:
Frontiers in Molecular Biosciences, Vol 9 (2023)
Interest in exploiting allosteric sites for the development of new therapeutics has grown considerably over the last two decades. The chief driving force behind the interest in allostery for drug discovery stems from the fact that in comparison to or
Externí odkaz:
https://doaj.org/article/48fdad24dd4041ffbd38fe6999da2e79
Autor:
David J. Diller, Anthony W. Partridge, Joseph Audie, Tomi K. Sawyer, Jon Swanson, Alexander S. Bayden, David P. Lane, Christopher J. Brown, Dawn Thean
Publikováno v:
Molecules
Volume 24
Issue 24
Volume 24
Issue 24
There is interest in peptide drug design, especially for targeting intracellular protein&ndash
protein interactions. Therefore, the experimental validation of a computational platform for enabling peptide drug design is of interest. Here, we des
protein interactions. Therefore, the experimental validation of a computational platform for enabling peptide drug design is of interest. Here, we des
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e5d50ab269fa4a3059f7a3f023db4d8
Autor:
Maria L. Webb, Ilana L. Stroke, Laurie J. Sturzenbecker, David W. Hilbert, Brett A. Marinelli, Joan E. Sabalski, Linh Ma, David J. Diller, Philip D. Stein, Jeffrey J. Letourneau, Jorge Quintero
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 28:756-761
The discovery, synthesis and preliminary structure-activity relationship (SAR) of a novel class of inhibitors of Clostridium difficile (C. difficile) toxin B (TcdB) is described. A high throughput screening (HTS) campaign resulted in the identificati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f742445d139a1bd6814035c6c49dc34f
https://doi.org/10.1016/j.bmcl.2018.01.005
https://doi.org/10.1016/j.bmcl.2018.01.005
Publikováno v:
Computers in Biology and Medicine. 92:176-187
There is growing interest in peptide-based drug design and discovery. Due to their relatively large size, polymeric nature, and chemical complexity, the design of peptide-based drugs presents an interesting "big data" challenge. Here, we describe an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ccb428413f6b982750f60a3c41c46e80
https://doi.org/10.1016/j.compbiomed.2017.11.016
https://doi.org/10.1016/j.compbiomed.2017.11.016
Publikováno v:
Advances in the Discovery and Development of Peptide Therapeutics. :8-27
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5e56ae87ce9744091ea0f0b3935a5f2d
https://doi.org/10.4155/fseb2013.14.105
https://doi.org/10.4155/fseb2013.14.105
Publikováno v:
Biopolymers. 104:775-789
We have created models to predict cleavage sites for several human proteases including caspase-1, caspase-3, caspase-6, caspase-7, cathepsin B, cathepsin D, cathepsin G, cathepsin K, cathepsin L, elastase-2, granzyme A, granzyme B, matrix metallopept
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af28b7d51f142ca078b9e9fdbeb2bc00
https://doi.org/10.1002/bip.22711
https://doi.org/10.1002/bip.22711
Publikováno v:
Future Medicinal Chemistry. 7:2173-2193
Peptides provide promising templates for developing drugs to occupy a middle space between small molecules and antibodies and for targeting ‘undruggable’ intracellular protein–protein interactions. Importantly, rational or in cerebro design, es
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::71c4d93ccfc057350250c165651630f1
https://doi.org/10.4155/fmc.15.142
https://doi.org/10.4155/fmc.15.142
Autor:
David J. Diller
Publikováno v:
Journal of chemical theory and computation. 13(1)
Here we present a new method for point charge calculation which we call QET (charges by electron transfer). The intent of this work is to develop a method that can be useful for studying charge transfer in large biological systems. It is based on the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5e0137a6a57ad9fe9c43c863381d7050
https://pubmed.ncbi.nlm.nih.gov/27958737
https://pubmed.ncbi.nlm.nih.gov/27958737
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 78:2329-2337
Alanine scanning is a powerful experimental tool for understanding the key interactions in protein-protein interfaces. Linear scaling semiempirical quantum mechanical calculations are now sufficiently fast and robust to allow meaningful calculations
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4205fea61aec3b6d26a35b16158d44e7
https://doi.org/10.1002/prot.22745
https://doi.org/10.1002/prot.22745