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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

Treating Conformational Flexibility in Protein-Protein Docking

Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 27-35
Author(s): Mykhaylo Berynskyy,Rebecca C. Wade

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

Potential Application of Network Descriptions for Understanding Conformational Changes and Protonation States of ABC Transporters

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4155-4172
Author(s): Tamas Hegedus, Gergely Gyimesi, Merse E. Gaspar, Kristof Z. Szalay, Rajeev Gangal, Peter Csermely

Allo-Network Drugs: Extension of the Allosteric Drug Concept to Protein- Protein Interaction and Signaling Networks

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 64-77
Author(s): Andras Szilagyi, Ruth Nussinov, Peter Csermely

Ion Mobility Spectrometry-Mass Spectrometry of Intrinsically Unfolded Proteins: Trying to Put Order into Disorder

Journal: Current Analytical Chemistry
Volume: 9 Issue: 2 Year: 2013 Page: 181-191
Author(s): T. W. Knapman,N. M. Valette,S. L. Warriner,A. E. Ashcroft

Modeling of 2-Pyridin-3-yl-Benzo[d][1,3]Oxazin-4-one Derivatives by Several Conformational Searching Tools and Molecular Docking

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2194-2203
Author(s): Mohammad Goodarzi,Alina Bora,Ana Borota,Simona Funar-Timofei,Sorin Avram,Yvan Vander Heyden

The Topology and Dynamics of Protein Complexes: Insights from Intra– Molecular Network Theory

Journal: Current Protein & Peptide Science
Volume: 14 Issue: 2 Year: 2013 Page: 121-132
Author(s): Guang Hu, Jianhong Zhou, Wenying Yan, Jiajia Chen, Bairong Shen

Rational Drug Design: The Search for Ras Protein Hydrolysis Intermediate Conformation Inhibitors with Both Affinity and Specificity

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2246-2258
Author(s): Xiliang Zheng,Zuojia Liu,Dan Li,Erkang Wang,Jin Wang

Conformations and Assembly of Amyloid Oligomers by Electrospray Ionisation - Ion Mobility Spectrometry - Mass Spectrometry

Journal: Current Analytical Chemistry
Volume: 9 Issue: 2 Year: 2013 Page: 165-180
Author(s): Eva Illes-Toth,David P. Smith

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