HTMoL: full-stack solution for remote access,visualization, and analysis of molecular dynamics trajectory data |
| |
Authors: | Mauricio Carrillo-Tripp Leonardo Alvarez-Rivera Omar Israel Lara-Ramírez Francisco Javier Becerra-Toledo Adan Vega-Ramírez Emmanuel Quijas-Valades Eduardo González-Zavala Julio Cesar González-Vázquez Javier García-Vieyra Nelly Beatriz Santoyo-Rivera Sergio Victor Chapa-Vergara Amilcar Meneses-Viveros |
| |
Affiliation: | 1.Biomolecular Diversity Lab,Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional Unidad Monterrey,Apodaca,México;2.Ingeniería en Sistemas,Instituto Tecnológico Superior de Irapuato,Irapuato,México;3.Departamento de Computación,Centro de Investigación y de Estudios Avanzados del Instituto Politécnico Nacional,Ciudad de México,México |
| |
Abstract: | Research on biology has seen significant advances with the use of molecular dynamics (MD) simulations. The MD methodology enables explanation and discovery of molecular mechanisms in a wide range of natural processes and biological systems. The need to readily share the ever-increasing amount of MD data has been hindered by the lack of specialized bioinformatic tools. The difficulty lies in the efficient management of the data, i.e., in sending and processing 3D information for its visualization. In this work, we present HTMoL, a plug-in-free, secure GPU-accelerated web application specifically designed to stream and visualize MD trajectory data on a web browser. Now, individual research labs can publish MD data on the Internet, or use HTMoL to profoundly improve scientific reports by including supplemental MD data in a journal publication. HTMoL can also be used as a visualization interface to access MD trajectories generated on a high-performance computer center directly. Furthermore, the HTMoL architecture can be leveraged with educational efforts to improve learning in the fields of biology, chemistry, and physics. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|