Search Result "coarse-grained molecular model"


Molecular Dynamics Simulations of Membrane Proteins: Building Starting Structures and Example Applications

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 363-378
Author(s): Thomas H. Schmidt,Megan L. O'Mara,Christian Kandt

Tell Me Something I Do Not Know. Multiscale Molecular Modeling of Dendrimer/ Dendron Organization and Self-Assembly In Gene Therapy

Journal: Current Medicinal Chemistry
Volume: 19 Issue: 29 Year: 2012 Page: 5062-5087
Author(s): P. Posocco,E. Laurini,V. Dal Col,D. Marson,K. Karatasos,M. Fermeglia,S. Pricl

Recent Advances in Computational Modeling of α

Journal: Current Protein & Peptide Science
Volume: 13 Issue: 7 Year: 2012 Page: 644-657
Author(s): Anton A. Polyansky,Anton O. Chugunov,Alexander A. Vassilevski,Eugene V. Grishin,Roman G. Efremov

Conformational Changes of the Protein Domains Upon Binding with Carbon Nanotubes Studied by Molecular Dynamics Simulations

Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 12-22
Author(s): Guanghong Zuo, Peng Xiu, Xin Zhou, Ruhong Zhou, Haiping Fang

Insights into Aβ Aggregation: A Molecular Dynamics Perspective

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 2 Year: 2012 Page: 2596-2610
Author(s): Joan-Emma Shea, Brigita Urbanc

Drug-Lipid Membrane Interaction Mechanisms Revealed Through Molecular Simulations

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 379-400
Author(s): Oana Cramariuc,Tomasz Rog,Ilpo Vattulainen

A Large-Scale Comparison of Computational Models on the Residue Flexibility for NMR-derived Proteins

Journal: Protein & Peptide Letters
Volume: 19 Issue: 2 Year: 2012 Page: 244-251
Author(s): Hua Zhang, Hanxiao Shi, Michelle Hanlon

A Closer Look into G Protein Coupled Receptor Activation: X-Ray Crystallography and Long-Scale Molecular Dynamics Simulations

Journal: Current Medicinal Chemistry
Volume: 19 Issue: 8 Year: 2012 Page: 1135-1145
Author(s): S. Vanni, U. Rothlisberger

Bridging the Gap Between Optical Spectroscopic Experiments and Computer Simulations for Fast Protein Folding Dynamics

Journal: Current Physical Chemistry
Volume: 2 Issue: 1 Year: 2012 Page: 45-58
Author(s): Raymond Z. Cui, Daniel-Adriano Silva, Jian Song, Gregory R. Bowman, Wei Zhuang, Xuhui Huang

From Laptop to Benchtop to Bedside: Structure-based Drug Design on Protein Targets

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 9 Year: 2012 Page: 1217-1239
Author(s): Lu Chen, John K. Morrow, Hoang T. Tran, Sharangdhar S. Phatak, Lei Du-Cuny, Shuxing Zhang

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