Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software architecture, and examples of applications enabled by the methods it implements.
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http://dx.doi.org/10.1063/5.0216512 | DOI Listing |
Int J Mol Sci
December 2024
Department of Breast and Thoracic Oncology, Istituto Nazionale Tumori-IRCCS-Fondazione G. Pascale, 80131 Naples, Italy.
Targeting DNA damage response (DDR) pathways represents one of the principal approaches in cancer therapy. However, defects in DDR mechanisms, exhibited by various tumors, can also promote tumor progression and resistance to therapy, negatively impacting patient survival. Therefore, identifying new molecules from natural extracts could provide a powerful source of novel compounds for cancer treatment strategies.
View Article and Find Full Text PDFDermatol Ther (Heidelb)
October 2024
CorEvitas, LLC, Waltham, MA, USA.
Introduction: Due to variable psoriasis symptoms, disease progression, and individual responses to therapy, patients may start, stop, or switch biologic therapies. Real-world data on the associated disease burden of patients with psoriasis who do and do not switch biologics are incomplete.
Methods: This study compared disease burden among patients from the CorEvitas Psoriasis Registry (July 2017-December 2021) who switched biologics and those who did not within 4-12 months following initiation.
J Chem Phys
August 2024
Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.
Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software architecture, and examples of applications enabled by the methods it implements.
View Article and Find Full Text PDFDermatol Ther (Heidelb)
April 2024
Oregon Medical Research Center, 9495 SW Locust St., Suite G, Portland, OR, 97223, USA.
Addict Behav Rep
June 2024
IFT Institut für Therapieforschung, Centre for Mental Health and Addiction Research, Leopoldstrasse 175, 80804 München, Germany.
Introduction: Mandatory breaks have been discussed as a harm reduction strategy in the context of gambling for several years, but their effectiveness remains unclear. The TESSA pilot study examines the association of physiological arousal (PA) and mandatory breaks during gambling with an aim to conceptualize the framework for a subsequent randomized controlled trial.
Material And Methods: In a one-armed experimental pilot study 28 participants engaged in a simulated online slot game with mandatory breaks.
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