Search Result "protonationstate"


Protonation States in Molecular Dynamics Simulations of Peptide Folding and Binding

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4173-4181
Author(s): Avraham Ben- Shimon, Deborah E. Shalev, Masha Y. Niv

Rational Design and Optimization of Trypsin Inhibitory Peptides with Antibacterial Activity

Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 3 Year: 2015 Page: 272-278
Author(s): Xiaoqin Liu,Zhengling Wang,Jingming Cui,Wenli Su

eHiTS: An Innovative Approach to the Docking and Scoring Function Problems

Journal: Current Protein & Peptide Science
Volume: 7 Issue: 5 Year: 2006 Page: 421-435
Author(s):

Strategies in the Rational Drug Design

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2011 Page: 2517-2530
Author(s): T. Mavromoustakos, S. Durdagi, C. Koukoulitsa, M. Simcic, M. G. Papadopoulos, M. Hodoscek, S. Golic Grdadolnik

Artificial Intelligence and Data Mining for Toxicity Prediction

Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 2 Year: 2006 Page: 123-133
Author(s): Christoph Helma, Jeroen Kazius

QSAR and QM/MM Approaches Applied to Drug Metabolism Prediction

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 573-582
Author(s): R. C. Braga,C. H. Andrade

Neutrophil Elastase as a Target in Lung Cancer: the State of the Art

Ebook: Advances in Cancer Drug Targets
Volume: 3 Year: 2016
Author(s): Gautier Moroy,Alain J.P. Alix,Janos Sapi,William Hornebeck,Erika Bourguet
Doi: 10.2174/9781681082332116030003

In Silico Approaches for Drug Discovery and Development

Ebook: Frontiers in Computational Chemistry
Volume: 3 Year: 2017
Author(s): Thomas Leonard Joseph,Vigneshwaran Namasivayam,Vasanthanathan Poongavanam,Srinivasaraghavan Kannan
Doi: 10.2174/9781681081670117030003

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