Informations fournies par OpenAlex. Research Africa ne déduit ni nationalité, ni poste, ni coordonnées personnelles.
Trent E. Balius, Marcin D. Dyba, Vandana Kumari, J. L. Denson et autres
Disulfide tethering is a site-directed method of drug discovery used to identify hits for challenging targets. We applied tethering to target oncogenic KRAS, a small GTPase once considered undruggable due to its high nucleotide affinity and a perceived absence of binding sites. …
us (code pays fourni par la source)
Matthew J. Whitley, Marcin D. Dyba, Mayukh Chakrabarti, Brian Smith et autres
Abstract Acquired resistance remains a major challenge in the treatment of KRAS-G12C-driven cancers. Secondary mutations in KRAS frequently arise under the selective pressure of KRAS-G12C inhibitors, undermining therapeutic efficacy. These resistance mutations predominantly cluster within or adjacent to the Switch-II pocket, the …
us (code pays fourni par la source)
Trent E. Balius, Marcin D. Dyba, Vandana Kumari, John-Paul Denson et autres
Abstract Disulfide tethering is a site-directed method for identifying hits of challenging drug targets. We describe the creation of a screening library of over 2000 disulfide fragments. We have screened 1000+ fragments from this library against 83 engineered KRAS cysteine mutants to …
us (code pays fourni par la source)
Yu-Hong Tan, Mayukh Chakrabarti, Reed M. Stein, Lauren E. Prentis et autres
Molecular docking methods are widely used in drug discovery efforts. RAS proteins are important cancer drug targets, and are useful systems for evaluating docking methods, including accounting for solvation effects and covalent small molecule binding. Water often plays a key role in …
us (code pays fourni par la source)
Yu-Hong Tan, Mayukh Chakrabarti, Reed M. Stein, Lauren E. Prentis et autres
Molecular docking methods are widely used in drug discovery efforts. RAS proteins are important cancer drug targets, and are useful systems for evaluating docking methods, including accounting for solvation effects and covalent small molecule binding. Water often plays a key role in …
us (code pays fourni par la source)
Lorenzo I. Finci, Mayukh Chakrabarti, Gülçin Gülten, Joseph D Finney et autres
RAF kinases are integral to the RAS-MAPK signaling pathway, and proper RAF1 folding relies on its interaction with the chaperone HSP90 and the cochaperone CDC37. Understanding the intricate molecular interactions governing RAF1 folding is crucial for comprehending this process. Here, we present …
us (code pays fourni par la source)
Mayukh Chakrabarti, Y. Stanley Tan, Trent E. Balius
us (code pays fourni par la source)
Trent E. Balius, Yu-Hong Tan, Mayukh Chakrabarti
To allow DOCK 6 access to unprecedented chemical space for screening billions of small molecules, we have implemented features from DOCK 3.7 into DOCK 6, including a search routine that traverses precomputed ligand conformations stored in a hierarchical database. We tested them …
us (code pays fourni par la source)
Trent E. Balius, Mayukh Chakrabarti, Y. Stanley Tan
To allow DOCK 6 access to unprecedented chemical space for screening billions of small molecules, we have implemented features from DOCK 3.7 into DOCK 6, including a search routine that traverses precomputed ligand conformations stored in a hierarchical database. We tested them …
us (code pays fourni par la source)
Brian J. Bender, Stefan Gahbauer, Andreas Luttens, Jiankun Lyu et autres
us, se (code pays fourni par la source)
Brian J. Bender, Stefan Gahbauer, Andreas Luttens, Jiankun Lyu et autres
us, se (code pays fourni par la source)
Anna Sophia Kamenik, Isha Singh, Parnian Lak, Trent E. Balius et autres
Significance The dynamic nature of biomolecules is typically neglected in docking screens for ligand discovery. The key to benefitting from various receptor conformations is not only structural but also thermodynamic information. Here, we test a general approach that uses conformational preferences from …
us, at (code pays fourni par la source)
BNTIC News n’est pas le producteur de ces données. Les publications sont interrogées à la demande dans Crossref, OpenAIRE, DOAJ, Europe PMC, HAL, DataCite, AfricArXiv, ROR et la Banque mondiale, sans clé d’accès. OpenAlex reste optionnel. Aucun service payant n’est nécessaire et aucune donnée externe n’est enregistrée en base. Consulter les sources et leurs limites.
L'essentiel de l'actu tech du Burkina & d'Afrique, chaque semaine dans votre boîte mail.
Gratuit · sans spam · désinscription en un clic