Zobrazeno 1 - 10
of 90
pro vyhledávání: '"F. Sanner"'
Autor:
Sudhanshu Shanker, Michel F. Sanner
Publikováno v:
Journal of Chemical Information and Modeling. 63:3158-3170
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7e50c1a10b67936d15762b3ac16d2d86
https://doi.org/10.1021/acs.jcim.3c00602
https://doi.org/10.1021/acs.jcim.3c00602
Autor:
José A. Fernández, Xiao Xu, Ranjeet K. Sinha, Laurent O. Mosnier, Michel F. Sanner, John H. Griffin
Publikováno v:
Blood Advances, Vol 1, Iss 18, Pp 1423-1426 (2017)
Externí odkaz:
https://doaj.org/article/eb727b32c88b4d7480649f61ea1217bb
Publikováno v:
J Chem Inf Model
In recent years, therapeutic peptides (TPs) have gained a lot interest as demonstrated by the 60 peptides approved as drugs in major markets and 150+ peptides currently in clinical trials. However, while small molecule docking is routinely used in ra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f701a2e9f6b233d57105168fbac8af7
https://doi.org/10.1021/acs.jcim.1c00573
https://doi.org/10.1021/acs.jcim.1c00573
Publikováno v:
Protein Sci
The AutoDock suite provides a comprehensive toolset for computational ligand docking and drug design and development. The suite builds on 30 years of methods development, including empirical free energy force fields, docking engines, methods for site
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d0b741334667b231899788af8d44213
https://doi.org/10.1002/pro.3934
https://doi.org/10.1002/pro.3934
Publikováno v:
J Thromb Haemost
BACKGROUND: Activated protein C (APC) is an important homeostatic blood coagulation protease that conveys anticoagulant and cytoprotective activities. Proteolytic inactivation of factors Va and VIIIa facilitated by cofactor protein S is responsible f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7d45e13854f3f665109b6a68881c16f
https://doi.org/10.1111/jth.14756
https://doi.org/10.1111/jth.14756
Publikováno v:
PLoS Computational Biology, Vol 11, Iss 12, p e1004586 (2015)
Automated docking of drug-like molecules into receptors is an essential tool in structure-based drug design. While modeling receptor flexibility is important for correctly predicting ligand binding, it still remains challenging. This work focuses on
Externí odkaz:
https://doaj.org/article/81edf507b1ec411c8ddd8f2aa486fd35
Autor:
Yuqi Zhang, Michel F. Sanner
Publikováno v:
Journal of Chemical Theory and Computation. 15:5161-5168
While a new therapeutic cyclic peptide is approved nearly every year, docking large macrocycles has remained challenging. Here, we present a new version of our peptide docking software AutoDock CrankPep (ADCP), extended to dock peptides cyclized thro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5c4ae0b8b1b4d8d61de4ceb60e95e403
https://doi.org/10.1021/acs.jctc.9b00557
https://doi.org/10.1021/acs.jctc.9b00557
Cyclic Peptides as Protein Kinase Inhibitors: Structure-Activity Relationship and Molecular Modeling
Autor:
Saghar Mozaffari, Samara E Hanna, Rakesh Tiwari, Michel F. Sanner, Simin Rahighi, Keykavous Parang, Khalid Zoghebi
Publikováno v:
J Chem Inf Model
Under-expression or over-expression of protein kinases has been shown to be associated with unregulated cell signal transduction in cancer cells. Therefore, there is a major interest in designing protein kinase inhibitors as anticancer agents. We hav
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b58f25fcf8a58f8baf732453e55f572
https://europepmc.org/articles/PMC8238896/
https://europepmc.org/articles/PMC8238896/
Autor:
Andreas Koch, Stefano Forli, Leonardo Solis-Vasquez, Diogo Santos-Martins, Michel F. Sanner, Andreas F. Tillack
Publikováno v:
J Chem Theory Comput
AutoDock4 is a widely used program for docking small molecules to macromolecular targets. It describes ligand-receptor interactions using a physics-inspired scoring function that has been proven useful in a variety of drug discovery projects. However
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad42ef0344c5bd2f9e6f015803ef48ef
https://pubmed.ncbi.nlm.nih.gov/33403848
https://pubmed.ncbi.nlm.nih.gov/33403848
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