Analytical shape computation of macromolecules: I. Molecular area and volume through alpha shape J Liang, H Edelsbrunner, P Fu, PV Sudhakar, S Subramaniam Proteins: Structure, Function, and Bioinformatics 33 (1), 1-17, 1998 | 463 | 1998 |
Analytical shape computation of macromolecules: II. Inaccessible cavities in proteins J Liang, H Edelsbrunner, P Fu, PV Sudhakar, S Subramaniam Proteins: Structure, Function, and Bioinformatics 33 (1), 18-29, 1998 | 305 | 1998 |
TeraGrid science gateways and their impact on science N Wilkins-Diehr, D Gannon, G Klimeck, S Oster, S Pamidighantam Computer 41 (11), 32-41, 2008 | 221 | 2008 |
From proposal to production: Lessons learned developing the computational chemistry grid cyberinfrastructure R Dooley, K Milfeld, C Guiang, S Pamidighantam, G Allen Journal of Grid Computing 4, 195-208, 2006 | 181 | 2006 |
E-science infrastructures for molecular modeling and parametrization N Shen, Y Fan, S Pamidighantam Journal of Computational Science 5 (4), 576-589, 2014 | 112 | 2014 |
Apache Airavata: design and directions of a science gateway framework M Pierce, S Marru, L Gunathilake, TA Kanewala, R Singh, S Wijeratne, ... 2014 6th international workshop on science gateways, 48-54, 2014 | 86 | 2014 |
Community science exemplars in seagrid science gateway: Apache airavata based implementation of advanced infrastructure S Pamidighantam, S Nakandala, E Abeysinghe, C Wimalasena, ... Procedia Computer Science 80, 1927-1939, 2016 | 81 | 2016 |
Nature of bonding in phosphazoylides. A comparative study of N2H4, NPH4, and P2H4 PV Sudhakar, K Lammertsma Journal of the American Chemical Society 113 (6), 1899-1906, 1991 | 71 | 1991 |
Cluster computing through an application-oriented computational chemistry grid K Milfeld, C Guiang, S Pamidighantam, J Giuliani Proceedings of the 2005 linux clusters: the HPC revolution, 2005 | 55 | 2005 |
Bond properties of Be3–7 clusters PV Sudhakar, K Lammertsma The Journal of chemical physics 99 (10), 7929-7937, 1993 | 39 | 1993 |
Supporting science gateways using apache airavata and scigap services M Pierce, S Marru, E Abeysinghe, S Pamidighantam, M Christie, ... Proceedings of the Practice and Experience on Advanced Research Computing, 1-4, 2018 | 30 | 2018 |
The interaction between water and the liquid‐mercury surface H Sellers, PV Sudhakar The Journal of chemical physics 97 (9), 6644-6648, 1992 | 28 | 1992 |
Bond stretch isomerism in rhombic silicon carbide (C2Si2) PV Sudhakar, OF Guner, K Lammertsma The Journal of Physical Chemistry 93 (21), 7289-7292, 1989 | 28 | 1989 |
Computational chemistry grid: Production cyberinfrastructure for computational chemistry R Dooley, G Allen, S Pamidighantam Proceedings of the 13th Annual Mardi Gras Conference, 83, 2005 | 26 | 2005 |
Ab initio studies of calcium carbonate hydration JA Lopez-Berganza, Y Diao, S Pamidighantam, RM Espinosa-Marzal The Journal of Physical Chemistry A 119 (47), 11591-11600, 2015 | 25 | 2015 |
Apache airavata as a laboratory: architecture and case study for component-based gateway middleware S Marru, M Pierce, S Pamidighantam, C Wimalasena Proceedings of the 1st Workshop on The Science of Cyberinfrastructure …, 2015 | 24 | 2015 |
Using keycloak for gateway authentication and authorization MA Christie, A Bhandar, S Nakandala, S Marru, E Abeysinghe, ... | 23 | 2017 |
Managing authentication and authorization in distributed science gateway middleware MA Christie, A Bhandar, S Nakandala, S Marru, E Abeysinghe, ... Future Generation Computer Systems 111, 780-785, 2020 | 22 | 2020 |
Apache airavata sharing service: A tool for enabling user collaboration in science gateways S Nakandala, S Marru, M Piece, S Pamidighantam, K Yoshimoto, ... Proceedings of the Practice and Experience in Advanced Research Computing …, 2017 | 21 | 2017 |
Bridged and open carbocation structures as a function of the correlation level in ab initio calculations: The 4-methyl-2-pentyl cation D Fǎrcaşiu, P Lukinskas, SV Pamidighantam The Journal of Physical Chemistry A 106 (47), 11672-11675, 2002 | 19 | 2002 |