Hydrogen Bonds Computing Server (HBCS): an online web server to compute hydrogen-bond interactions and their precision


Autoria(s): Gurusaran, M; Sivaranjan, P; Kumar, Dinesh KS; Radha, P; Tharshan, Thulaa KPS; Satheesh, SN; Jayanthan, K; Ilaiyaraja, R; Mohanapriya, J; Michael, Daliah; Sekar, K
Data(s)

2016

Resumo

Hydrogen bonds in biological macromolecules play significant structural and functional roles. They are the key contributors to most of the interactions without which no living system exists. In view of this, a web-based computing server, the Hydrogen Bonds Computing Server (HBCS), has been developed to compute hydrogen-bond interactions and their standard deviations for any given macromolecular structure. The computing server is connected to a locally maintained Protein Data Bank (PDB) archive. Thus, the user can calculate the above parameters for any deposited structure, and options have also been provided for the user to upload a structure in PDB format from the client machine. In addition, the server has been interfaced with the molecular viewers Jmol and JSmol to visualize the hydrogen-bond interactions. The proposed server is freely available and accessible via the World Wide Web at http://bioserver1.physics.iisc.ernet.in/hbcs/.

Formato

application/pdf

Identificador

http://eprints.iisc.ernet.in/53783/1/Jou_App_Cry_49-2_%20642_2016.pdf

Gurusaran, M and Sivaranjan, P and Kumar, Dinesh KS and Radha, P and Tharshan, Thulaa KPS and Satheesh, SN and Jayanthan, K and Ilaiyaraja, R and Mohanapriya, J and Michael, Daliah and Sekar, K (2016) Hydrogen Bonds Computing Server (HBCS): an online web server to compute hydrogen-bond interactions and their precision. In: JOURNAL OF APPLIED CRYSTALLOGRAPHY, 49 (2). pp. 642-645.

Publicador

INT UNION CRYSTALLOGRAPHY

Relação

http://dx.doi.org/10.1107/S1600576716002041

http://eprints.iisc.ernet.in/53783/

Palavras-Chave #Supercomputer Education & Research Centre
Tipo

Journal Article

PeerReviewed