Search Result "MM-GBSA"


Current State-of-the-art for Quantum Mechanics-based Methods in Drug Design

Ebook: Young People’s Visions of the World

Volume: 1 Year: 2010
Author(s): Carlton Anthony Taft,Carlos Henrique Tomich de Paula da Silva
Doi: 10.2174/97816080512741100101

Post Processing of Protein-Compound Docking for Fragment-Based Drug Discovery (FBDD): In-Silico Structure-Based Drug Screening and Ligand-Binding Pose Prediction

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2010 Page: 680-694
Author(s): Yoshifumi Fukunishi

Molecular Recognition and Drug-Lead Identification: What Can Molecular Simulations Tell Us?

Journal: Current Medicinal Chemistry
Volume: 17 Issue: 1 Year: 2010 Page: 25-41
Author(s): G. Morra, A. Genoni, M. A.C. Neves, K. M. Merz Jr., G. Colombo

Spontaneous Adjustment Mechanism in an RNA-Binding Protein: Cooperation Between Energetic Stabilization and Target Search Enhancement

Journal: Protein & Peptide Letters
Volume: 17 Issue: 1 Year: 2010 Page: 1547-1552
Author(s): Ikuo Kurisaki, Hirofumi Watanabe, Shigenori Tanaka

Homodimeric Enzymes as Drug Targets

Journal: Current Medicinal Chemistry
Volume: 17 Issue: 9 Year: 2010 Page: 826-846
Author(s): D. Cardinale, O. M.H. Salo-Ahen, S. Ferrari, G. Ponterini, G. Cruciani, E. Carosati, A. M. Tochowicz, S. Mangani, R. C. Wade, M. P. Costi

Amyloid Formation in Surfactants and Alcohols: Membrane Mimetics or Structural Switchers?

Journal: Current Protein & Peptide Science
Volume: 11 Issue: 5 Year: 2010 Page: 355-371
Author(s): Daniel E. Otzen

Computational Approaches for Fragment-Based and De Novo Design

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 14-32
Author(s): Kathryn Loving, Ian Alberts, Woody Sherman

In Silico Drug Discovery Approaches on Grid Computing Infrastructures

Journal: Current Clinical Pharmacology
Volume: 5 Issue: 1 Year: 2010 Page: 37-46
Author(s): Antje Wolf, Mohammad Shahid, Vinod Kasam, Wolfgang Ziegler, Martin Hofmann-Apitius

Emerging Methods for Ensemble-Based Virtual Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 3-13
Author(s): Rommie E. Amaro, Wilfred W. Li

Computation as a Tool for Glycogen Phosphorylase Inhibitor Design

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 1156-1174
Author(s): Joseph M. Hayes, Demetres D. Leonidas

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