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Hasil Pencarian

Ditemukan 7 dokumen yang sesuai dengan query
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Haile, J.M.
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
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 grid infrastructure with 1,700 CPUs of various infrastructure provided in 15 countries [13]. In silico anti malaria compounds searching from Indonesian medical plants ... "
2014
MK-Pdf
Artikel Jurnal  Universitas Indonesia Library
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Heru Suhartanto
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 1,700 CPUS. This computing infrastructure will be one of the limitation for country like Indonesia that also needs in silico anti malaria compounds searching from the country ... "
2015
MK-Pdf
Artikel Jurnal  Universitas Indonesia Library
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Heru Suhartanto
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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Marx, Dominik
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
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 pendekatan farmakofor 3D berbasis ligan. Senyawa aktif HDAC4 dan HDAC7 dibuat ke dalam dataset training dan test untuk pembuatan dan validasi model farmakofor 3D berbasis ... "
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