Search Result "QM/SQM/MM"


Quantum Mechanical Scoring: Structural and Energetic Insights into Cyclin-Dependent Kinase 2 Inhibition by Pyrazolo[1,5-a]pyrimidines

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 1 Year: 2013 Page: 118-129
Author(s): Pathik S. Brahmkshatriya,Petr Dobes,Jindrich Fanfrlik,Jan Rezac,Kamil Paruch,Agnieszka Bronowska,Martin Lepsík,Pavel Hobza

Review Article

Docking Paradigm in Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 21 Issue: 6 Year: 2021 Page: 507-546
Author(s): Vladimir B. Sulimov,Danil C. Kutov,Anna S. Taschilova,Ivan S. Ilin,Eugene E. Tyrtyshnikov,Alexey V. Sulimov

Biomolecular Simulations of Metalloenzymes: Strategies to Tackle the Missing Parameter Problem

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 254-262
Author(s): Alexandra T.P. Carvalho

Molecular Dynamics Applied to Discover Antiviral Agents

Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Igor José dos Santos Nascimento
Doi: 10.2174/9789815036848122060005

The Anticancer Face of Interferon Alpha (IFN-Alpha): From Biology to Clinical Results, with a Focus on Melanoma

Journal: Current Medicinal Chemistry
Volume: 17 Issue: 2 Year: 2010 Page: 3327-3336
Author(s): S. Pasquali, S. Mocellin

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