JP2004527027A - 分子モデリングにおける解析的ヤコビアン計算のための方法 - Google Patents

分子モデリングにおける解析的ヤコビアン計算のための方法 Download PDF

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JP2004527027A
JP2004527027A JP2002561758A JP2002561758A JP2004527027A JP 2004527027 A JP2004527027 A JP 2004527027A JP 2002561758 A JP2002561758 A JP 2002561758A JP 2002561758 A JP2002561758 A JP 2002561758A JP 2004527027 A JP2004527027 A JP 2004527027A
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equation
jacobian
motion
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residual
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ダン イー． ローゼンサル，
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プロテイン メカニクス， インコーポレイテッド
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    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B20/00—ICT specially adapted for functional genomics or proteomics, e.g. genotype-phenotype associations
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    • G16B35/00—ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
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    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/60—In silico combinatorial chemistry
    • G16C20/62—Design of libraries

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JP2002561758A 2000-11-02 2001-11-02 分子モデリングにおける解析的ヤコビアン計算のための方法 Pending JP2004527027A (ja)

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US24573400P 2000-11-02 2000-11-02
US24573100P 2000-11-02 2000-11-02
US24568800P 2000-11-02 2000-11-02
US24573000P 2000-11-02 2000-11-02
PCT/US2001/051360 WO2002061662A1 (en) 2000-11-02 2001-11-02 Method for analytical jacobian computation in molecular modeling

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JP2004527027A true JP2004527027A (ja) 2004-09-02
JP2004527027A5 JP2004527027A5 (https=) 2005-06-02

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JP2002561758A Pending JP2004527027A (ja) 2000-11-02 2001-11-02 分子モデリングにおける解析的ヤコビアン計算のための方法
JP2002557776A Withdrawn JP2004534289A (ja) 2000-11-02 2001-11-02 分子モデリングの自己確認のための方法
JP2002541362A Withdrawn JP2004519026A (ja) 2000-11-02 2001-11-02 分子モデリングにおける大きな時間刻みについての方法

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JP2002557776A Withdrawn JP2004534289A (ja) 2000-11-02 2001-11-02 分子モデリングの自己確認のための方法
JP2002541362A Withdrawn JP2004519026A (ja) 2000-11-02 2001-11-02 分子モデリングにおける大きな時間刻みについての方法

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US (4) US20020156604A1 (https=)
EP (3) EP1344176A1 (https=)
JP (3) JP2004527027A (https=)
AU (2) AU2002234164A1 (https=)
CA (3) CA2427649A1 (https=)
IL (3) IL155685A0 (https=)
WO (4) WO2002039087A2 (https=)

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JP2006282929A (ja) * 2005-04-04 2006-10-19 Taiyo Nippon Sanso Corp 分子構造予測方法
WO2013047881A1 (en) * 2011-09-26 2013-04-04 Fujifilm Corporation Simulation apparatus for predicting behavior of mass point system
JP2014026649A (ja) * 2012-06-29 2014-02-06 Dassault Systemes 出力変数の全導関数を使用した協調シミュレーションプロシージャ

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WO2003072596A2 (en) * 2002-02-27 2003-09-04 Protein Mechanics, Inc. Clustering conformational variants of molecules and methods of use thereof
CA2487454A1 (en) * 2002-05-28 2003-12-04 The Trustees Of The University Of Pennsylvania Methods, systems, and computer program products for computational analysis and design of amphiphilic polymers
US20030229476A1 (en) * 2002-06-07 2003-12-11 Lohitsa, Inc. Enhancing dynamic characteristics in an analytical model
WO2004111914A2 (en) * 2003-06-09 2004-12-23 Locus Pharmaceuticals, Inc. Efficient methods for multibody simulations
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US7840927B1 (en) 2006-12-08 2010-11-23 Harold Wallace Dozier Mutable cells for use in integrated circuits
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US7962317B1 (en) * 2007-07-16 2011-06-14 The Math Works, Inc. Analytic linearization for system design
US20090030659A1 (en) * 2007-07-23 2009-01-29 Microsoft Corporation Separable integration via higher-order programming
JP2012081568A (ja) * 2010-10-14 2012-04-26 Sony Corp ロボットの制御装置及び制御方法、並びにコンピューター・プログラム
ES2440415B1 (es) * 2012-07-25 2015-04-13 Plebiotic, S.L. Metodo y sistema de simulacion mediante dinamica molecular con control de estabilidad
CN103034784B (zh) * 2012-12-15 2015-10-14 福州大学 基于多体系统传递矩阵的柴油机配气系统动力学计算方法
CN104076012B (zh) * 2014-07-24 2016-06-08 河南中医学院 一种近红外光谱法快速检测冰片质量的模型建立方法
US10713400B2 (en) 2017-04-23 2020-07-14 Cmlabs Simulations Inc. System and method for executing a simulation of a constrained multi-body system
CN115177123B (zh) 2018-01-17 2024-06-07 安东尼股份有限公司 安装可移动电子显示器的门
US11620418B2 (en) * 2018-03-16 2023-04-04 Autodesk, Inc. Efficient sensitivity analysis for generative parametric design of dynamic mechanical assemblies
EP3591543B1 (fr) * 2018-07-03 2023-09-06 Yf1 Système et procédé pour la simulation d'un procédé chimique ou biochimique
US10514722B1 (en) 2019-03-29 2019-12-24 Anthony, Inc. Door for mounting a removable electronic display
CN111596237B (zh) * 2020-06-01 2020-12-08 北京未磁科技有限公司 原子磁力计及其碱金属原子气室压强的原位检测方法
US20230420084A1 (en) * 2020-08-26 2023-12-28 Sanofi Scaffold Contrained Molecular Generation Using Memory Networks
CN112149328B (zh) * 2020-09-18 2022-09-30 南京理工大学 一种用于模拟分子化学趋向运动的程序算法
CN113899150B (zh) * 2021-11-08 2022-12-20 青岛海尔电冰箱有限公司 嵌入式冷冻冷藏装置及其门体连接组件
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JP2006282929A (ja) * 2005-04-04 2006-10-19 Taiyo Nippon Sanso Corp 分子構造予測方法
WO2013047881A1 (en) * 2011-09-26 2013-04-04 Fujifilm Corporation Simulation apparatus for predicting behavior of mass point system
JP2013084255A (ja) * 2011-09-26 2013-05-09 Fujifilm Corp 質点系の挙動を予測するシミュレーション装置およびシミュレーション方法並びにその方法を実行するためのプログラムおよび記録媒体
JP2014026649A (ja) * 2012-06-29 2014-02-06 Dassault Systemes 出力変数の全導関数を使用した協調シミュレーションプロシージャ

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US20030018455A1 (en) 2003-01-23
IL155685A0 (en) 2003-11-23
JP2004519026A (ja) 2004-06-24
US20020156604A1 (en) 2002-10-24
AU2002239789A1 (en) 2002-05-21
WO2002057742A2 (en) 2002-07-25
JP2004534289A (ja) 2004-11-11
EP1337958A2 (en) 2003-08-27
WO2002039087A2 (en) 2002-05-16
EP1337957A2 (en) 2003-08-27
WO2002039087A3 (en) 2003-01-23
CA2427644A1 (en) 2002-07-25
WO2002036744A3 (en) 2002-07-11
WO2002036744A2 (en) 2002-05-10
WO2002039087A9 (en) 2003-06-19
IL155719A0 (en) 2003-11-23
WO2002057742A3 (en) 2002-12-19
IL155686A0 (en) 2003-11-23
WO2002061662A1 (en) 2002-08-08
CA2427857A1 (en) 2002-05-16
WO2002057742A9 (en) 2003-07-17
AU2002234164A1 (en) 2002-05-15
CA2427649A1 (en) 2002-08-08
US20030055620A1 (en) 2003-03-20
EP1344176A1 (en) 2003-09-17
US20020198695A1 (en) 2002-12-26

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