Molecular Simulation, Volume 40, Issue 10-11 (2014)

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Molecular Simulation, Volume 40, Issue 10-11 (2014)

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Recent Advances in Molecular Biology

Guest Editorial

Editorial
Recent advances in molecular biology
Jerome Delhommelle
Page: 731
Published online: 08 Aug 2014
CitationforRecent advances in molecular biology | Full Text | PDF (34.1 KB)
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Articles

Article
An introduction to biomolecular simulations and docking
Cameron Mura & Charles E. McAnany
Pages: 732-764
Published online: 01 Aug 2014
AbstractforAn introduction to biomolecular simulations and docking | Full Text | References | PDF (850.6 KB)
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Intricacies of interactions, dynamics and solvent effects in enzyme catalysis: a computational perspective on cyclophilin A
Safieh Tork Ladani & Donald Hamelberg
Pages: 765-776
Published online: 05 Jun 2014
AbstractforIntricacies of interactions, dynamics and solvent effects in enzyme catalysis: a computational perspective on cyclophilin A | Full Text | References | PDF (535.8 KB)
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Article
Progress in molecular modelling of DNA materials
Nan K. Li, Ho Shin Kim, Jessica A. Nash, Mina Lim & Yaroslava G. Yingling
Pages: 777-783
Published online: 23 May 2014
AbstractforProgress in molecular modelling of DNA materials | Full Text | References | PDF (128.6 KB)
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Article
Recent developments in methods for identifying reaction coordinates
Wenjin Li & Ao Ma
Pages: 784-793
Published online: 22 Apr 2014
AbstractforRecent developments in methods for identifying reaction coordinates | Full Text | References | PDF (153.7 KB)
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Article
Computer simulation of polymer and biopolymer self-assembly for drug delivery
Sharon M. Loverde
Pages: 794-801
Published online: 19 Mar 2014
AbstractforComputer simulation of polymer and biopolymer self-assembly for drug delivery | Full Text | References | PDF (429.1 KB)
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Article
Advancing simulations of biological materials: applications of coarse-grained models on graphics processing unit hardware
David N. LeBard
Pages: 802-820
Published online: 22 Apr 2014
AbstractforAdvancing simulations of biological materials: applications of coarse-grained models on graphics processing unit hardware | Full Text | References | PDF (715.4 KB)
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Article
Pentameric ligand-gated ion channels: insights from computation
Reza Salari, Sruthi Murlidaran & Grace Brannigan
Pages: 821-829
Published online: 17 Apr 2014
AbstractforPentameric ligand-gated ion channels: insights from computation | Full Text | References | PDF (588.5 KB)
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Article
Recent development and application of constant pH molecular dynamics
Wei Chen, Brian H. Morrow, Chuanyin Shi & Jana K. Shen
Pages: 830-838
Published online: 08 May 2014
AbstractforRecent development and application of constant pH molecular dynamics | Full Text | References | PDF (298.5 KB)
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Article
Overview of simulation studies on the enzymatic activity and conformational dynamics of the GTPase Ras
Priyanka Prakash & Alemayehu A. Gorfe
Pages: 839-847
Published online: 19 Mar 2014
AbstractforOverview of simulation studies on the enzymatic activity and conformational dynamics of the GTPase Ras | Full Text | References | PDF (199.2 KB)
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Article
Polypharmacology and supercomputer-based docking: opportunities and challenges
Sally R. Ellingson, Jeremy C. Smith & Jerome Baudry
Pages: 848-854
Published online: 17 Apr 2014
AbstractforPolypharmacology and supercomputer-based docking: opportunities and challenges | Full Text | References | PDF (173.2 KB)
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Article
Sampling large conformational transitions: adenylate kinase as a testing ground
Sean L. Seyler & Oliver Beckstein
Pages: 855-877
Published online: 29 May 2014
AbstractforSampling large conformational transitions: adenylate kinase as a testing ground | Full Text | References | PDF (949.1 KB)
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Article
Recent developments in molecular simulation approaches to study spherical virus capsids
Eric R. May
Pages: 878-888
Published online: 22 Apr 2014
AbstractforRecent developments in molecular simulation approaches to study spherical virus capsids | Full Text | References | PDF (468.1 KB)
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Article
Molecular simulation of drug-binding kinetics
Chung F. Wong
Pages: 889-903
Published online: 20 Mar 2014
AbstractforMolecular simulation of drug-binding kinetics | Full Text | References | PDF (598.5 KB)
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