Search Result "molecular ensembles"
Generalized-Ensemble Algorithms for Protein Folding and Unfolding
Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 92-106
Author(s): Yuko Okamoto
Role of Ensemble Conformational Sampling Using Molecular Docking & Dynamics in Drug Discovery
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s):
Doi: 10.2174/9789815036848122060004
Drug Design by Generalized-Ensemble Simulations
Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1758-1772
Author(s): Yuko Okamoto
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
Artificial Neural Networks for Efficient Clustering of Conformational Ensembles and their Potential for Medicinal Chemistry
Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 5 Year: 2013 Page: 642-651
Author(s): Alessandro Pandini, Domenico Fraccalvieri, Laura Bonati
Insights into the Conformational Ensemble of Human Islet Amyloid Polypeptide from Molecular Simulations
Journal: Current Pharmaceutical Design
Volume: 22 Issue: 23 Year: 2016 Page: 3601-3607
Author(s): Linh Tran,Tap Ha-Duong
Probing Dynamic Protein Ensembles with Atomic Proximity Measures
Journal: Current Protein & Peptide Science
Volume: 11 Issue: 7 Year: 2010 Page: 515-522
Author(s): Zoltan Gaspari, Annamaria F. Angyan, Somdutta Dhir, Dino Franklin, Andras Perczel, Alessandro Pintar, Sandor Pongor
Amyloid Motif Prediction Using Ensemble Approach
Journal: Current Bioinformatics
Volume: 11 Issue: 3 Year: 2016 Page: 357-365
Author(s): Smitha Sunil Kumaran Nair,N. V. Subba Reddy
A Further Step Toward an Optimal Ensemble of Classifiers for Peptide Classification, a Case Study: HIV Protease
Journal: Protein & Peptide Letters
Volume: 16 Issue: 2 Year: 2009 Page: 163-167
Author(s): Loris Nanni, Alessandra Lumini
Protonation States and Conformational Ensemble in Ligand-based QSAR Modeling
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4323-4329
Author(s): Pier G. De Benedetti