Parameterization and validation of a new AMBER force field for an oxovanadium (IV) complex with therapeutic potential implications in Alzheimer's disease

Molecular Dynamics-Assisted Interaction of Vanadium Complex–AMPK: From Force Field Development to Biological Application for Alzheimer’s Treatment

(2023) Camila A. Tavares et al.   Journal of Physical Chemistry B

Development of a Pantetheine Force Field Library for Molecular Modeling

(2021) Shiji Zhao et al.   Journal of Chemical Information and Modeling

A Force Field for a Manganese-Vanadium Water Oxidation Catalyst: Redox Potentials in Solution as Showcase

(2021) Gustavo Cárdenas et al.   Catalysts

Protein tyrosine phosphatase 1B (PTP1B) inhibitors from the deep-sea fungus Penicillium chrysogenum SCSIO 07007

(2020) Wenrong Han et al.   BIOORGANIC CHEMISTRY

Amyloid β-targeted metal complexes for potential applications in Alzheimer's disease

(2018) Hao Liu et al.   Future Medicinal Chemistry

Alzheimer’s Disease: Past, Present, and Future

(2017) Mark W. Bondi et al.   JOURNAL OF THE INTERNATIONAL NEUROPSYCHOLOGICAL SOCIETY

Software update: the ORCA program system, version 4.0

(2017) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Protein Tyrosine Phosphatase 1B (PTP1B): A Potential Target for Alzheimer’s Therapy?

(2017) Marcelo N. N. Vieira et al.   Frontiers in Aging Neuroscience

Estimation of Transition-Metal Empirical Parameters for Molecular Mechanical Force Fields

(2016) Filip Šebesta et al.   Journal of Chemical Theory and Computation

Combining classical molecular dynamics and quantum mechanical methods for the description of electronic excitations: The case of carotenoids

(2016) Ingrid G. Prandi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Mechanics

(2014) Kenno Vanommeslaeghe et al.   CURRENT PHARMACEUTICAL DESIGN

Molecular Field Analysis (MFA) and Other QSAR Techniques in Development of Phosphatase Inhibitors

(2012) Pramod C. Nair   Anti-Cancer Agents in Medicinal Chemistry

Diabetes mellitus and Alzheimer's disease: shared pathology and treatment?

(2010) Kawser Akter et al.   BRITISH JOURNAL OF CLINICAL PHARMACOLOGY