Search Result "Berny algorithm"


Thermodynamic and Kinetic Aspects of the Lipid Peroxidation of Arachidonic Acid

Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 4 Year: 2011 Page: 390-400
Author(s): Claire Claire E. Tornow, Betsy Lau, M. C. Milletti

Research Article

Pharmacogenetics of Aromatase Inhibitors in Endocrine Responsive Breast Cancer: Lessons Learnt from Tamoxifen and CYP2D6 Genotyping

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 17 Issue: 13 Year: 2017 Page: 1805-1813
Author(s): K.J. Baatjes,M. Conradie,J.P. Apffelstaedt,M.J. Kotze

Atomic Clusters: Conclusions, Prospects and Perspectives

Ebook: DFT-Based Studies On Atomic Clusters
Volume: 1 Year: 2024
Author(s): Ambrish Kumar Srivastava
Doi: 10.2174/9789815274042124010009

Conformationally Controlled Mechanistic Aspects of BACE 1 Inhibitors

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 12 Issue: 1 Year: 2012 Page: 28-37
Author(s): M. Sonker, A. Yadav

Computational Characterization of a Series of Eicosanoids

Journal: Letters in Drug Design & Discovery
Volume: 2 Issue: 4 Year: 2005 Page: 322-328
Author(s): A. S.A. Gracon, S. J. Pernecky, M. C. Milletti, J.- A Park, Y. Yuan, H. Kim

Molecular Simulation in Drug Design: An Overview of Molecular Dynamics Methods

Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010009

Free Energy Estimation for Drug Discovery: Background and Perspectives

Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010011

Conformational Analysis of Ac-NPGQ-NH2 and Ac-VPaH-NH2 by Vibrational Circular Dichroism Spectroscopy Combined with Molecular Dynamics and Quantum Chemical Calculations

Journal: Protein & Peptide Letters
Volume: 14 Issue: 4 Year: 2007 Page: 353-359
Author(s): Attila Borics, Richard F. Murphy, Sandor Lovas

Structural and Electronic Characteristics of a Series of Glycosidase Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 4 Issue: 8 Year: 2007 Page: 587-595
Author(s): R. D. Anderson, M. C. Milletti

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