About: AMBER   Goto Sponge  NotDistinct  Permalink

An Entity of Type : wd:Q7397, within Data Space : wasabi.inria.fr associated with source document(s)

Assisted Model Building with Energy Refinement (AMBER) is a family of force fields for molecular dynamics of biomolecules originally developed by Peter Kollman's group at the University of California, San Francisco. AMBER is also the name for the molecular dynamics software package that simulates these force fields. It is maintained by an active collaboration between David Case at Rutgers University, Tom Cheatham at the University of Utah, Adrian Roitberg at University of Florida, Ken Merz at Michigan State University, Carlos Simmerling at Stony Brook University, Ray Luo at UC Irvine, and Junmei Wang at Encysive Pharmaceuticals.

AttributesValues
type
label
  • AMBER
  • AMBER
  • AMBER
  • AMBER
  • AMBER
  • AMBER (分子動力学)
  • AMBER力场
comment
  • AMBER (acronimo di Assisted Model Building with Energy Refinement) è una famiglia di campi di forze utilizzati nella dinamica molecolare di biomolecole, originariamente sviluppati dal gruppo di Peter Kollman all'Università della California, San Francisco. AMBER è allo stesso tempo anche il nome del pacchetto di software con cui si può simulare il campo di forze.
  • AMBER力场是在生物大分子的模拟计算领域有着广泛应用的一个分子力场。开发这个力场的是Peter Kollman课题组,最初AMBER力场是专门为了计算蛋白质和核酸体系而开发的,计算其力场参数的数据均来自实验值,后来随着AMBER力场的广泛应用,包括Kollman在内的很多课题组对AMBER力场的内容不断进行丰富,逐渐开发出了一个可以用于生物大分子、有机小分子和高分子模拟计算的力场体系。但是总体来讲,AMBER力场的优势在于对生物大分子的计算,其对小分子体系的计算结果常常不能令人满意。 AMBER力场的势能函数形势较为简单,所需参数不多,计算量也比较小,这是这个力场的一大特色,但也在一定程度上限制了这个力场的扩展性。本力场用计算键长伸缩能和键角弯转能,用傅立叶级数的形式来描述二面角扭转能,选用Lennard-Jones势来模拟范德华力;用库仑公式来描述静电相互作用,其势能表达式为: 现在有很多主流计算软件包应用了AMBER力场,其中除了Kollman课题组开发的AMBER软件之外,还有、、、和等。
  • AMBER(アンバー、Assisted Model Building with Energy Refinement)は、生体分子の分子動力学計算のための力場群である。最初はカリフォルニア大学サンフランシスコ校ののグループによって開発された。AMBERは、これらの力場をシミュレーションする分子動力学ソフトウェアパッケージの名称でもある。現在は、ラトガース大学のデイビッド・ケイス、ユタ大学のトム・チーサム、のトム・ダーデン、ミシガン州立大学のケン・マーズ、ストーニーブルック大学の、カリフォルニア大学アーバイン校のレイ・ルオ、エンサイシブ・ファーマシューティカルズ社のジュメイ・ワンによって維持管理がされている。
  • Assisted Model Building with Energy Refinement (AMBER) is a family of force fields for molecular dynamics of biomolecules originally developed by Peter Kollman's group at the University of California, San Francisco. AMBER is also the name for the molecular dynamics software package that simulates these force fields. It is maintained by an active collaboration between David Case at Rutgers University, Tom Cheatham at the University of Utah, Adrian Roitberg at University of Florida, Ken Merz at Michigan State University, Carlos Simmerling at Stony Brook University, Ray Luo at UC Irvine, and Junmei Wang at Encysive Pharmaceuticals.
  • Assisted Model Building with Energy Refinement (AMBER) ist ein Programm für molekulardynamische Berechnungen (MD) von (biologischen) Makromolekülen wie Proteinen und DNA. Weiterhin wird mit AMBER eine Reihe von Kraftfeldern in Verbindung gebracht.
  • AMBER (um acrônimo para Assisted Model Building with Energy Refinement) é uma família de campos de força para dinâmica molecular de biomoléculas desenvolvido originalmente pelo grupo de Peter Kollman na Universidade da Califórnia em São Francisco. AMBER também é o nome para o pacote de software de dinâmica molecular que simula estes campos de força. É mantido por uma colaboração ativa entre David Case na Universidade Rutgers, Tom Cheatham na Universidade de Utah, Tom Darden no NIEHS, Ken Merz na Universidade Estadual de Michigan, na Universidade Stony Brook, Ray Luo na , e Junmei Wang na Encysive Pharmaceuticals.
  • AMBER (Assisted Model Building with Energy Refinement) – pole siłowe stworzone przez zespół Petera Kollmana na University of California. Podobnie jak w przypadku wielu innych pól siłowych, nazwa (AMBER) odnosi się również do pakietu umożliwiającego np. przeprowadzenie dynamiki molekularnej. Pakiet AMBER, w odróżnieniu np. od pakietu CHARMM, jest oprogramowaniem zamkniętym i ma charakter komercyjny.
sameAs
name
  • Assisted Model Building with Energy Refinement (AMBER)
homepage
name
  • Assisted Model Building with Energy Refinement
topic
depiction
  • External Image
described by
Faceted Search & Find service v1.13.91 as of Mar 24 2020


Alternative Linked Data Documents: Sponger | ODE     Content Formats:       RDF       ODATA       Microdata      About   
This material is Open Knowledge   W3C Semantic Web Technology [RDF Data]
OpenLink Virtuoso version 07.20.3229 as of Jul 10 2020, on Linux (x86_64-pc-linux-gnu), Single-Server Edition (94 GB total memory)
Data on this page belongs to its respective rights holders.
Virtuoso Faceted Browser Copyright © 2009-2024 OpenLink Software