Search Result "CHARMm"


Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 179-191
Author(s): Christoph A. Sotriffer

Symmetry-Based Self-Assembled Nanotubes Constructed Using Native Protein Structures: The Key Role of Flexible Linkers

Journal: Protein & Peptide Letters
Volume: 18 Issue: 4 Year: 2011 Page: 362-372
Author(s): Idit Buch, Chung-Jung Tsai, Haim J. Wolfson, Ruth Nussinov

Recent Advances in Ligand-Based Drug Design: Relevance and Utility of the Conformationally Sampled Pharmacophore Approach

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 1 Year: 2011 Page: 10-22
Author(s): Chayan Acharya, Andrew Coop, James E. Polli, Alexander D. MacKerell

The Conformational Free Energy of Carbohydrates

Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 256-262
Author(s): Michelle M. Kuttel

4-Aryl-4H-Chromene-3-Carbonitrile Derivatives: Evaluation of Src Kinase Inhibitory and Anticancer Activities

Journal: Medicinal Chemistry
Volume: 7 Issue: 5 Year: 2011 Page: 466-472
Author(s): Asal Fallah-Tafti, Rakesh Tiwari, Amir Nasrolahi Shirazi, Tahmineh Akbarzadeh, Deendayal Mandal, Abbas Shafiee, Keykavous Parang, Alireza Foroumadi

Polyphosphate Synthesis as a Target for Novel Antibiotics

Journal: Current Enzyme Inhibition
Volume: 7 Issue: 3 Year: 2011 Page: 163-168
Author(s): Francisco P. Chavez, Carlos F. Lagos, Miguel Reyes-Parada, Nicolas Guiliani, Carlos A. Jerez

Development of Small-Molecule PUMA Inhibitors for Mitigating Radiation-Induced Cell Death

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 3 Year: 2011 Page: 281-290
Author(s): Gabriela Mustata, Mei Li, Nicki Zevola, Ahmet Bakan, Lin Zhang, Michael Epperly, Joel S. Greenberger, Jian Yu, Ivet Bahar

Assessment of Glycoproteins Dynamics from Computer Simulations

Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 229-238
Author(s): Laercio Pol-Fachin, Hugo Verli

New Features that Improve the Pharmacophore Tools from Accelrys

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 3 Year: 2011 Page: 173-180
Author(s): Jon Sutter, Jiabo Li, Allister J. Maynard, Anne Goupil, Tien Luu, Katalin Nadassy

Docking and Molecular Dynamics Study on the Inhibitory Activity of Novel Inhibitors on Epidermal Growth Factor Receptor (EGFR)

Journal: Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2011 Page: 24-31
Author(s): Qing-Hua Liao, Qing-Zhi Gao, Jing Wei, Kuo-Chen Chou

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