Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Tyler Day"'
Autor:
Haifeng Tang, Kristian Jensen, Evelyne Houang, Fiona M. McRobb, Sathesh Bhat, Mats Svensson, Art Bochevarov, Tyler Day, Markus K. Dahlgren, Jeffery A. Bell, Leah Frye, Robert J. Skene, James H. Lewis, James D. Osborne, Jason P. Tierney, James A. Gordon, Maria A. Palomero, Caroline Gallati, Robert S. L. Chapman, Daniel R. Jones, Kim L. Hirst, Mark Sephton, Alka Chauhan, Andrew Sharpe, Piero Tardia, Elsa A. Dechaux, Andrea Taylor, Ross D. Waddell, Andrea Valentine, Holden B. Janssens, Omar Aziz, Dawn E. Bloomfield, Sandeep Ladha, Ian J. Fraser, John M. Ellard
Publikováno v:
Journal of medicinal chemistry. 65(9)
d-Serine is a coagonist of the
Autor:
Kenneth W. Borrelli, Matthew J Grisewood, Phani Ghanakota, Richard A. Friesner, Edward B. Miller, Troast Dawn M, Daniel J. Sindhikara, Robert B. Murphy, Robert Abel, Salma B Rafi, Nicholas A. Boyles, Fabio Ranalli, Tyler Day, Steven V. Jerome, Sayan Mondal, Steven L. Dixon
Publikováno v:
Journal of Chemical Theory and Computation. 17:2630-2639
We present a reliable and accurate solution to the induced fit docking problem for protein-ligand binding by combining ligand-based pharmacophore docking, rigid receptor docking, and protein structure prediction with explicit solvent molecular dynami
Autor:
Kannan Sankar, Kyle Trainor, Levi L. Blazer, Jarrett J. Adams, Sachdev S. Sidhu, Tyler Day, Elizabeth Meiering, Johannes K. X. Maier
Publikováno v:
Molecular informaticsReferences. 41(9)
There has been a remarkable increase in the number of biologics, especially monoclonal antibodies, in the market over the last decade. In addition to attaining the desired binding to their targets, a crucial aspect is the 'developability' of these dr
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 86:1147-1156
Protein aggregation is a phenomenon that has attracted considerable attention within the pharmaceutical industry from both a developability standpoint (to ensure stability of protein formulations) and from a research perspective for neurodegenerative
Autor:
Gydo C. P. van Zundert, Brandi M. Hudson, Saulo H. P. de Oliveira, Daniel A. Keedy, Rasmus Fonseca, Amelie Heliou, Pooja Suresh, Kenneth Borrelli, Tyler Day, James S. Fraser, Henry van den Bedem
Publikováno v:
Journal of medicinal chemistry. 61(24)
Proteins and ligands sample a conformational ensemble that governs molecular recognition, activity, and dissociation. In structure-based drug design, access to this conformational ensemble is critical to understand the balance between entropy and ent
Autor:
Pooja Suresh, Daniel A. Keedy, Tyler Day, Amélie Héliou, Henry van den Bedem, Kenneth W. Borrelli, Brandi M. Hudson, Gydo C. P. van Zundert, Rasmus Fonseca, James S. Fraser
Publikováno v:
van Zundert, GCP; Hudson, B; Keedy, D; Fonseca, R; Heliou, A; Suresh, P; et al.(2018). qFit-ligand reveals widespread conformational heterogeneity of drug-like molecules in X-ray electron density maps. UCSF: Retrieved from: http://www.escholarship.org/uc/item/23z7z1zv
Proteins and ligands sample a conformational ensemble that governs molecular recognition, activity, and dissociation. In structure-based drug design, access to this conformational ensemble is critical to understand the balance between entropy and ent
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c70ae5c3ed0909fe775e24aa519772d3
https://doi.org/10.1101/253419
https://doi.org/10.1101/253419
Autor:
Ramy Farid, Edward Harder, Jeremy R. Greenwood, Kenneth W. Borrelli, Tyler Day, Kai Zhu, Robert Abel
Publikováno v:
Journal of Chemical Information and Modeling. 54:1932-1940
Although many popular docking programs include a facility to account for covalent ligands, large-scale systematic docking validation studies of covalent inhibitors have been sparse. In this paper, we present the development and validation of a novel
Autor:
David A. Pearlman, Tyler Day, Colleen S. Murrett, Richard A. Friesner, Kai Zhu, Dora Warshaviak
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 82:1646-1655
We present the blinded prediction results in the Second Antibody Modeling Assessment (AMA-II) using a fully automatic antibody structure prediction method implemented in the programs BioLuminate and Prime. We have developed a novel knowledge based ap
Publikováno v:
Proteins: Structure, Function, and Bioinformatics. 81:1081-1089
Antibodies have the capability of binding a wide range of antigens due to the diversity of the six loops constituting the complementarity determining region (CDR). Among the six loops, the H3 loop is the most diverse in structure, length, and sequenc
Publikováno v:
Bioorganic & Medicinal Chemistry. 14:3160-3173
We created a homology model of the homo-tetrameric pore domain of HERG using the crystal structure of the bacterial potassium channel, KvAP, as a template. We docked a set of known blockers with well-characterized effects on channel function into the