RSC Medicinal Chemistry · 2023 · 25 citations · 51 references
Life SciencesImmunologyMedicinal ChemistryDrug DesignImmunopharmacologyImmunoregulationImmunomodulatory DrugsLigand BindingLymphocyte ActivationProtein-ligand InteractionsT Cell ActivationT Cell DifferentiationEffector T Cell DifferentiationRegulation Of T-cell ActivationSmall-molecule ImmunomodulatorsT Cell Differentiation SignalingT Cell Immunomodulators
revealed a dose-dependent ability to block ICOS/ICOSL interaction in a bioluminescent cellular assay based on co-culturing Jurkat T cells expressing ICOS and CHO-K1 cells expressing ICOSL. This work will pave the way for future drug discovery efforts aiming at the development of small molecule inhibitors of ICOS/ICOSL interaction as potential therapeutics for cancer as well as other diseases.
51
Development and testing of a general amber force field
Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations
Scalable molecular dynamics with NAMD
J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text