AU2002234164A1 - Method for residual form in molecular modeling - Google Patents

Method for residual form in molecular modeling

Info

Publication number
AU2002234164A1
AU2002234164A1 AU2002234164A AU3416402A AU2002234164A1 AU 2002234164 A1 AU2002234164 A1 AU 2002234164A1 AU 2002234164 A AU2002234164 A AU 2002234164A AU 3416402 A AU3416402 A AU 3416402A AU 2002234164 A1 AU2002234164 A1 AU 2002234164A1
Authority
AU
Australia
Prior art keywords
molecular modeling
residual form
residual
modeling
molecular
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Abandoned
Application number
AU2002234164A
Other languages
English (en)
Inventor
Dan E. Rosenthal
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Protein Mechanics Inc
Original Assignee
Protein Mechanics Inc
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Protein Mechanics Inc filed Critical Protein Mechanics Inc
Publication of AU2002234164A1 publication Critical patent/AU2002234164A1/en
Abandoned legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional [2D] or three-dimensional [3D] molecular structures, e.g. structural or functional relations or structure alignment
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B35/00—ICT specially adapted for in silico combinatorial libraries of nucleic acids, proteins or peptides
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like
    • 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
    • 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
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • 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

Landscapes

  • Engineering & Computer Science (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Health & Medical Sciences (AREA)
  • Theoretical Computer Science (AREA)
  • Chemical & Material Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Physics & Mathematics (AREA)
  • General Health & Medical Sciences (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Computing Systems (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Biotechnology (AREA)
  • Medical Informatics (AREA)
  • Evolutionary Biology (AREA)
  • Biophysics (AREA)
  • Library & Information Science (AREA)
  • Medicinal Chemistry (AREA)
  • Molecular Biology (AREA)
  • Biochemistry (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Genetics & Genomics (AREA)
  • Analytical Chemistry (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Complex Calculations (AREA)
  • Investigating Or Analysing Materials By Optical Means (AREA)
  • Stored Programmes (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Addition Polymer Or Copolymer, Post-Treatments, Or Chemical Modifications (AREA)
  • Magnetic Resonance Imaging Apparatus (AREA)
AU2002234164A 2000-11-02 2001-11-02 Method for residual form in molecular modeling Abandoned AU2002234164A1 (en)

Applications Claiming Priority (13)

Application Number Priority Date Filing Date Title
US24568800P 2000-11-02 2000-11-02
US24573400P 2000-11-02 2000-11-02
US24573000P 2000-11-02 2000-11-02
US24573100P 2000-11-02 2000-11-02
US60/245,734 2000-11-02
US60245730 2000-11-02
US60245734 2000-11-02
US60/245,731 2000-11-02
US60245688 2000-11-02
US60/245,688 2000-11-02
US60245731 2000-11-02
US60/245,730 2000-11-02
PCT/US2001/051134 WO2002036744A2 (en) 2000-11-02 2001-11-02 Method for residual form in molecular modeling

Publications (1)

Publication Number Publication Date
AU2002234164A1 true AU2002234164A1 (en) 2002-05-15

Family

ID=27500199

Family Applications (2)

Application Number Title Priority Date Filing Date
AU2002234164A Abandoned AU2002234164A1 (en) 2000-11-02 2001-11-02 Method for residual form in molecular modeling
AU2002239789A Abandoned AU2002239789A1 (en) 2000-11-02 2001-11-02 Method for large timesteps in molecular modeling

Family Applications After (1)

Application Number Title Priority Date Filing Date
AU2002239789A Abandoned AU2002239789A1 (en) 2000-11-02 2001-11-02 Method for large timesteps in molecular modeling

Country Status (7)

Country Link
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=)

Families Citing this family (36)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US20030187626A1 (en) * 2002-02-21 2003-10-02 Protein Mechanics, Inc. Method for providing thermal excitation to molecular dynamics models
AU2003213154A1 (en) * 2002-02-21 2003-09-09 Protein Mechanics, Inc. Method for providing thermal excitation to molecular dynamics models
AU2003262201A1 (en) * 2002-02-21 2003-10-27 Protein Mechanics, Inc. System for calculating the electrostatic force due to a system of charged bodies in molecular modeling
US20030187594A1 (en) * 2002-02-21 2003-10-02 Protein Mechanics, Inc. Method for a geometrically accurate model of solute-solvent interactions using implicit solvent
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
JP2006282929A (ja) * 2005-04-04 2006-10-19 Taiyo Nippon Sanso Corp 分子構造予測方法
US7752588B2 (en) * 2005-06-29 2010-07-06 Subhasis Bose Timing driven force directed placement flow
EP1907957A4 (en) * 2005-06-29 2013-03-20 Otrsotech Ltd Liability Company INVESTMENT METHODS AND SYSTEMS
JP4682791B2 (ja) * 2005-10-12 2011-05-11 ソニー株式会社 操作空間物理量算出装置及び操作空間物理量算出方法、並びにコンピュータ・プログラム
US8332793B2 (en) * 2006-05-18 2012-12-11 Otrsotech, Llc Methods and systems for placement and routing
US8739137B2 (en) 2006-10-19 2014-05-27 Purdue Research Foundation Automatic derivative method for a computer programming language
US8281299B2 (en) 2006-11-10 2012-10-02 Purdue Research Foundation Map-closure: a general purpose mechanism for nonstandard interpretation
WO2008062680A1 (en) * 2006-11-24 2008-05-29 Nec Corporation System, method and program for evaluating the performance of apparatus for predicting interaction between molecules
US7840927B1 (en) 2006-12-08 2010-11-23 Harold Wallace Dozier Mutable cells for use in integrated circuits
US7990398B2 (en) * 2007-04-13 2011-08-02 Apple Inc. Matching movement behavior in motion graphics
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
JP5697638B2 (ja) * 2011-09-26 2015-04-08 富士フイルム株式会社 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
US9223754B2 (en) * 2012-06-29 2015-12-29 Dassault Systèmes, S.A. Co-simulation procedures using full derivatives of output variables
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
CN120012235A (zh) * 2025-01-23 2025-05-16 合肥工业大学 包含有效透射边界条件的二维结构-地基地震响应计算方法

Family Cites Families (18)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5025388A (en) * 1988-08-26 1991-06-18 Cramer Richard D Iii Comparative molecular field analysis (CoMFA)
US5249151A (en) * 1990-06-05 1993-09-28 Fmc Corporation Multi-body mechanical system analysis apparatus and method
US5424963A (en) * 1992-11-25 1995-06-13 Photon Research Associates, Inc. Molecular dynamics simulation method and apparatus
AU7311994A (en) * 1993-05-21 1994-12-20 Arris Pharmaceutical Corporation A machine-learning approach to modeling biological activity for molecular design and to modeling other characteristics
US5625575A (en) * 1993-08-03 1997-04-29 Lucent Technologies Inc. Apparatus for modelling interaction of rigid bodies
US5553004A (en) * 1993-11-12 1996-09-03 The Board Of Trustees Of The Leland Stanford Jr. University Constrained langevin dynamics method for simulating molecular conformations
US5745385A (en) * 1994-04-25 1998-04-28 International Business Machines Corproation Method for stochastic and deterministic timebase control in stochastic simulations
US5777889A (en) * 1994-09-22 1998-07-07 International Business Machines Corporation Method and apparatus for evaluating molecular structures using relativistic integral equations
US6341256B1 (en) * 1995-03-31 2002-01-22 Curagen Corporation Consensus configurational bias Monte Carlo method and system for pharmacophore structure determination
US5626575A (en) * 1995-04-28 1997-05-06 Conmed Corporation Power level control apparatus for electrosurgical generators
US5787279A (en) * 1995-12-22 1998-07-28 International Business Machines Corporation System and method for conformationally-flexible molecular recognition
US5752019A (en) * 1995-12-22 1998-05-12 International Business Machines Corporation System and method for confirmationally-flexible molecular identification
US6185506B1 (en) * 1996-01-26 2001-02-06 Tripos, Inc. Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors
US5799312A (en) * 1996-11-26 1998-08-25 International Business Machines Corporation Three-dimensional affine-invariant hashing defined over any three-dimensional convex domain and producing uniformly-distributed hash keys
US6125235A (en) * 1997-06-10 2000-09-26 Photon Research Associates, Inc. Method for generating a refined structural model of a molecule
US6161080A (en) * 1997-11-17 2000-12-12 The Trustees Of Columbia University In The City Of New York Three dimensional multibody modeling of anatomical joints
US6014449A (en) * 1998-02-20 2000-01-11 Board Of Trustees Operating Michigan State University Computer-implemented system for analyzing rigidity of substructures within a macromolecule
US6253166B1 (en) * 1998-10-05 2001-06-26 The United States Of America As Represented By The Administrator Of The National Aeronautics And Space Administration Stable algorithm for estimating airdata from flush surface pressure measurements

Also Published As

Publication number Publication date
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
JP2004527027A (ja) 2004-09-02
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
CA2427649A1 (en) 2002-08-08
US20030055620A1 (en) 2003-03-20
EP1344176A1 (en) 2003-09-17
US20020198695A1 (en) 2002-12-26

Similar Documents

Publication Publication Date Title
AU2002234164A1 (en) Method for residual form in molecular modeling
AU2001242320A1 (en) Method for gesture based modeling
AU2001241524A1 (en) Method and apparatus for a three-dimensional web-navigator
AU2001265103A1 (en) Molding apparatus and method for manufacturing panels
AU2001251378A1 (en) Hi-accuracy three-dimensional topographic modeling apparatus
SG95621A1 (en) Uv cure process and tool for low k film formation
AU2002226290A1 (en) Method for recovering mixed plastic matter
AU2001279850A1 (en) Method and arrangement for studsystem
AU2001291882A1 (en) Method for producing polyisobutylphenols
AU2001231803A1 (en) Method in trade
AU2001238437A1 (en) Computerized modeling system and method
AU2001274958A1 (en) Filling method
AU2001259227A1 (en) Method for authenticating artwork
AU2001241636A1 (en) Halotherapy method
AU2001295658A1 (en) Method for 3d adaptation
AU2002212224A1 (en) Method for producing delta1-pyrrolines
AU2001262147A1 (en) Method for producing 4-bromo- and 4-chloro-2-nitro-1-trifluoromethoxybenzene
WO2001080145A8 (en) Method for an online banking model
AU2001271515A1 (en) Method for automated molecular cloning
AU2002228975A1 (en) Method
AU2000273497A1 (en) Capacitor mold and method for using same
AU2001272448A1 (en) Method for producing dna-arrays
AUPQ784000A0 (en) Method and system for operation verification
AU2001259514A1 (en) Modeling system
AU2000272665A1 (en) Three dimension anti-counterfeit method