Search Result "coarse-grained molecular model"


Molecular Modeling and Simulation of Membrane Lipid-Mediated Effects on GPCRs

Journal: Current Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2013 Page: 22-38
Author(s): S.K. Sadiq,R. Guixa-Gonzalez,E. Dainese,M. Pastor,G. De Fabritiis,J. Selent

Multidrug Resistance and Efflux Pumps: Insights from Molecular Dynamics Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 24 Year: 2013 Page: 3165-3183
Author(s): Francesca Collu,Michele Cascella

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

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

Genome-wide Membrane Protein Structure Prediction

Journal: Current Genomics
Volume: 14 Issue: 5 Year: 2013 Page: 324-329
Author(s): Stefano Piccoli,Eda Suku,Marianna Garonzi,Alejandro Giorgetti

Combining Theory and Experiments to Understand Sugar Regulation in Bacteria

Journal: Current Chemical Biology
Volume: 7 Issue: 3 Year: 2013 Page: 224-233
Author(s): Szabolcs Semsey,Sandeep Krishna

Computational Peptidology: A New and Promising Approach to Therapeutic Peptide Design

Journal: Current Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2013 Page: 1985-1996
Author(s): P. Zhou, C. Wang, Y. Ren, C. Yang, F. Tian

Molecular Recognition of Human Angiotensin-Coverting Enzyme I (hACE I) and Different Inhibitors

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1211-1221
Author(s): Huiying Chu, Hanyi Min, Mingbo Zhang, Hujun Shen, Guohui Li

Investigation Binding Patterns of Human Carboxylesterase I (hCES I) with Broad Substrates by MD Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 1 Year: 2013 Page: 1222-1233
Author(s): Huiying Chu, Hanyi Min, Mingbo Zhang, Hujun Shen, Guohui Li

Computational Approaches for Ligand Discovery and Design in Class-A G Protein- Coupled Receptors

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2216-2236
Author(s): David Rodriguez,Hugo Gutierrez-de-Teran

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