ClickMD: an intuitive web-oriented molecular dynamics platform-Reference-Cited by-同舟云学术

ClickMD: an intuitive web-oriented molecular dynamics platform

Published:2011-06 Issue:8 Volume:3 Page:923-931
ISSN:1756-8919
Container-title:Future Medicinal Chemistry
language:en
Short-container-title:Future Medicinal Chemistry

Author:

Cristiani Andrea¹²,Brisotto Nicola²³,Cedrati Fabian Chatwin²³,Floris Matteo⁴,Scapozza Leonardo¹,Moro Stefano

Affiliation:

1. Pharmaceutical Biochemistry Group, School of Pharmaceutical Sciences, SCIENCES II, Université de Genève, Quai E Ansermet, 30 1211 Genève, Switzerland

2. Molecular Modeling Section, Università degli Studi di Padova Via Marzolo 5, 35131 Padova, Italy

3. Fabianet Sl, Via G Pascoli, 3, 27025 Gambolò, Italy

4. CRS4 – Bioinformatics Laboratory, Parco Sardegna Ricerche, 09010 Pula, Italy

Abstract

Background: Molecular dynamics (MD) simulations are broadly used to reproduce protein motions at an atomic level of detail. Running MD simulations is generally considered an expert-driven task. Discussion: ClickMD provides an integrated web-oriented platform for processing and analyzing the time-dependent behavior of a biomolecular system in an MD workflow. ClickMD is freely available online and can be easily integrated into the drug-design process, in particular in combination with molecular docking simulations. Conclusion: ClickMD has the potential to reduce the shuffling among various software applications and to facilitate the seamless processing of the MD trajectories.

Publisher

Future Science Ltd

Subject

Drug Discovery,Pharmacology,Molecular Medicine

Link

http://www.future-science.com/doi/pdf/10.4155/fmc.11.59

Reference38 articles.

1. Phase Transition for a Hard Sphere System

2. AlderBJ, Wainwright TE. Phase transition in elastic disks.Phys. Rev.127, (1962).

3. Decay of the Velocity Autocorrelation Function

4. McCammonJA. Molecular dynamics study of the bovine pancreatic trypsin inhibitor. In:Report of the 1976 Workshop, Models for Protein Dynamics. Université de Paris IX, France (1977).

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