Contents

Current Physical Chemistry, Volume 2 - Number 4

Editorial

EDITORIAL (Hot Topic: Biomolecular Simulations and Applications)

, 2(4): 313

Athanassios Stavrakoudis


DOI: 10.2174/1877946811202040313




Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules

, 2(4): 314 - 323

Sarah Aldulaijan and James A. Platts


DOI: 10.2174/1877946811202040314




Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics

, 2(4): 324 - 343

Chris A. Kieslich, Phanourios Tamamis, Ronald D. Gorham Jr., Aliana Lopez de Victoria, Noriko U. Sausman, Georgios Archontis and Dimitrios Morikis


DOI: 10.2174/1877946811202040324




Atomistic Insights Into the Regulatory Mechanisms Mediated by Post- Translational Modifications: Molecular Dynamics Investigations

, 2(4): 344 - 362

Elena Papaleo, Nicola Casiraghi, Alberto Arrigoni and Valeria Ranzani


DOI: 10.2174/1877946811202040344




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

, 2(4): 363 - 378

Thomas H. Schmidt, Megan L. O'Mara and Christian Kandt


DOI: 10.2174/1877946811202040363




Drug-Lipid Membrane Interaction Mechanisms Revealed Through Molecular Simulations

, 2(4): 379 - 400

Oana Cramariuc, Tomasz Rog and Ilpo Vattulainen


DOI: 10.2174/1877946811202040379




Recent Applications of Replica-Exchange Molecular Dynamics Simulations of Biomolecules

, 2(4): 401 - 412

Yuji Sugita, Naoyuki Miyashita, Pai-Chi Li, Takao Yoda and Yuko Okamoto


DOI: 10.2174/1877946811202040401




Conformations of Lower-Size Large Cyclodextrins (DP from 10 to 30) Derived from Conformational Search with Molecular Dynamics and Principal Component Analysis

, 2(4): 413 - 442

Petko Ivanov


DOI: 10.2174/1877946811202040413




Functional Dynamics of Proteins Elucidated by Statistical Analysis of Simulation Data

, 2(4): 443 - 451

Burak Alakent, Zeynep Kurkcuoglu and Pemra Doruker


DOI: 10.2174/1877946811202040443




ACKNOWLEDGEMENT TO THE REVIEWERS

, 2(4): 452


DOI: 10.2174/1877946811202040452




Webmaster Contact: info@benthamscience.org
Copyright © 2018 Bentham Science