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Ditemukan 9 dokumen yang sesuai dengan query
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Heru Suhartanto, author
Performance Analysis of Molecular Dynamics Simulation of PfENR Enzyme using AMBER on Cluster and GPU computing environment
ABSTRACT
One of the processes requiring HPC environments is Molecular Dynamics ( MD ) . In tropical countries, the MD process is very important in the preparation of virtual screening experiments for anti-malaria search. Previous works on the virtual screening project for anti-malaria search conducted by WISDOM project uses...
2014
MK-Pdf
Artikel Jurnal  Universitas Indonesia Library
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Heru Suhartanto, author
Using Dedicated and Non Dedicated HPC Cluster and GPU NVIDIA Tesla C2070 Cloud computing environment to simulate Molecular Dynamics of PfENR Enzyme with AMBER
ABSTRACT
Molecular Dynamics (MD) is one of processes that requires High Performance Computing environments to complete its jobs. In the preparation of virtual screening experiments, MD is one of the important processes particularly for tropical countries in searching for anti-Malaria drugs. The search for anti-Malaria has previously conducted, for example by WISDOM project utilizing...
2015
MK-Pdf
Artikel Jurnal  Universitas Indonesia Library
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Arry Yanuar, author
Molecular Dynamics Simulation of Rem GTPase Obtained from Homology Modeling (Poster Presentation) - Bandung International Conference on Medicinal Chemistry, 6-8 August 2010
Rem GTPase is a member ofRGK subfamily (Rad, Rem, Rem2, Gem and Kir) found recently. Rem is highly expressed at cardiac muscle.[l] Crystal structure of Rem (2NZJ) unveiled disordered structures of switch I (residue 102-110) and switch II (residue 135-145). These both regions have been acknowledged to be involved in...
2010
MK-Pdf
UI - Makalah dan Kertas Kerja  Universitas Indonesia Library
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Haile, J.M., author
Molecular dynamics simulation : elementary methods
New York: John Wiley & Sons, 1992
532.05 HAI m
Buku Teks  Universitas Indonesia Library
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Heru Suhartanto, author
The Development of integrated computing platform to improve user satisfaction and cost eficiency of in siloco drug discovery activities
2014
MK-Pdf
Artikel Jurnal  Universitas Indonesia Library
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Ari Wibisono, author
Performance Analysis of Curcumin Molecular Dynamics Simulation using GROMACS on Cluster Computing Environment (Proceedings of the International Conference on Advanced Computer Science and Information Systems, ICACSIS 2010)
Molecular dynamic simulation is one field of science that uses computer as a resource for computational methods to calculate the number of forces acting within a molecular system and analyzing its movement. This simulation is useful for the discovery of drug compounds from an illness. This study uses Gromacs as...
ICACSIS, 2010
MK-Pdf
UI - Makalah dan Kertas Kerja  Universitas Indonesia Library
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Marx, Dominik, author
Ab initio molecular dynamics : basic theory and advanced methods
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This text provides a presentation of this rapidly growing fiel...
Cambrigde : Cambrigde University Press , 2009
541.394 MAR a
Buku Teks  Universitas Indonesia Library
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Linda Erlina, author
Penapisan virtual berbasis farmakofor, penambatan molekul dan simulasi dinamika molekuler inhibitor histone deacetylase kelas IIA dari database herbal Indonesia = Pharmacophore based virtual screening molecular docking and molecular dynamic simulation of histone deacetylase class IIA inhibitor from Indonesian herbal database / Linda Erlina
Senyawa yang berperan sebagai inhibitor HDAC kelas IIa telah banyak dikembangkan sebagai obat antikanker, antiinflamasi, penyakit Huntington, human papiloma virus dan antidiabetes. Senyawa inhibitor HDAC antara lain golongan hydroxamic acid, peptida siklik, asam alifatik dan benzamide. Metode yang digunakan untuk mencari senyawa inhibitor HDAC kelas IIa salah satunya adalah melalui...
Depok: Fakultas Farmasi Universitas Indonesia, 2016
T47080
UI - Tesis (Membership)  Universitas Indonesia Library
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Coarse-graining of condensed phase and biomolecular systems
New York: CRC Pres, 2009
541.394 COA
Buku Teks  Universitas Indonesia Library