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1.发明申请Method for displaying loops from immunoglobulin domains in different contexts 审中-公开在不同上下文中显示来自免疫球蛋白结构域的循环的方法公开(公告)号：US20050214857A1
公开(公告)日：2005-09-29
申请号：US10494829
申请日：2002-12-11
IPC分类号： C07K16/00 , C07K16/28 , C12N15/10 , C12Q1/68 , C40B30/04 , C40B40/02 , G01N33/68 , G01N33/53 , C07K14/705
CPC分类号： C40B30/04 , C07K16/00 , C07K16/2866 , C07K2317/22 , C07K2317/565 , C07K2317/567 , C12N15/1037 , C12N15/1044 , C40B40/02
摘要： The present invention is related to an isolated polypeptide micro-scaffold displaying immunoglobulin CDR2 or CDR3 polypeptide sequences, comprising a CDR2 or CDR3 polypeptide sequence interconnecting fragments of the adjacent framework polypeptide sequences, which are arranged to form two anti-parallel β-strands. The present invention is further related to a method to search, select or screen for immunoglobulin CDR2 or CDR3 polypeptide sequences that bind to a given antigen or mixture of antigens, comprising the steps of: Creating a CDR library with the method of claim 13 from the genetic information of an individual or group of individuals; Select a CDR, which binds to said antigen or mixture of antigens.
摘要翻译： 本发明涉及显示免疫球蛋白CDR2或CDR3多肽序列的分离的多肽微型支架，其包含互连相邻框架多肽序列的片段的CDR2或CDR3多肽序列，其被布置成形成两个反平行β-链。 本发明还涉及一种搜索，选择或筛选结合给定抗原或抗原混合物的免疫球蛋白CDR2或CDR3多肽序列的方法，包括以下步骤：用权利要求13的方法从 个人或个人群体的遗传信息; 选择与所述抗原或抗原混合物结合的CDR。
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公开(公告)号：US20120278054A1
公开(公告)日：2012-11-01
申请号：US13270931
申请日：2011-10-11
申请人： Johan Desmet , Geert Meersseman , Nathalie Boutonnet , Jurgen Pletinckx , Krista De Clercq , Ignace Lasters
发明人： Johan Desmet , Geert Meersseman , Nathalie Boutonnet , Jurgen Pletinckx , Krista De Clercq , Ignace Lasters
IPC分类号： G06F19/12
摘要： The present invention is related to a quantitative structure-based affinity scoring method for peptide/protein complexes. More specifically, the present invention comprises a method that operates on the basis of a highly specific force field function (e.g. CHARMM) that is applied to all-atom structural representations of peptide/receptor complexes. Peptide side-chain contributions to total affinity are scored after detailed rotameric sampling followed by controlled energy refinement. The method of the invention further comprises a de novo approach to estimate dehydration energies from the simulation of individual amino acids in a solvent box filled with explicit water molecules and applying the same force field function as used to evaluate peptide/receptor complex interactions.
摘要翻译： 本发明涉及肽/蛋白复合物的基于定量结构的亲和评分方法。 更具体地说，本发明包括一种基于应用于肽/受体复合物的全原子结构表示的高度特异性的力场函数（例如CHARMM）来操作的方法。 在详细的旋转异构体取样之后进行受控能量细化，对总亲和力的肽侧链贡献进行评分。 本发明的方法还包括从填充有显性水分子的溶剂盒中的各个氨基酸的模拟估算脱水能量并应用用于评估肽/受体复合物相互作用的相同的力场函数的从头方法。
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公开(公告)号：US08538706B2
公开(公告)日：2013-09-17
申请号：US13270931
申请日：2011-10-11
申请人： Johan Desmet , Geert Meersseman , Nathalie Boutonnet , Jurgen Pletinckx , Krista De Clercq , Ignace Lasters
发明人： Johan Desmet , Geert Meersseman , Nathalie Boutonnet , Jurgen Pletinckx , Krista De Clercq , Ignace Lasters
摘要： The present invention is related to a quantitative structure-based affinity scoring method for peptide/protein complexes. More specifically, the present invention comprises a method that operates on the basis of a highly specific force field function (e.g. CHARMM) that is applied to all-atom structural representations of peptide/receptor complexes. Peptide side-chain contributions to total affinity are scored after detailed rotameric sampling followed by controlled energy refinement. The method of the invention further comprises a de novo approach to estimate dehydration energies from the simulation of individual amino acids in a solvent box filled with explicit water molecules and applying the same force field function as used to evaluate peptide/receptor complex interactions.
摘要翻译： 本发明涉及肽/蛋白复合物的基于定量结构的亲和评分方法。 更具体地说，本发明包括一种基于应用于肽/受体复合物的全原子结构表示的高度特异性的力场函数（例如CHARMM）来操作的方法。 在详细的旋转异构体取样之后进行受控能量细化，对总亲和力的肽侧链贡献进行评分。 本发明的方法还包括从填充有显性水分子的溶剂盒中的各个氨基酸的模拟估算脱水能量并应用用于评估肽/受体复合物相互作用的相同的力场函数的从头方法。
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公开(公告)号：US20080312840A1
公开(公告)日：2008-12-18
申请号：US11568108
申请日：2006-04-21
申请人： Johan Desmet , Geert Meersseman , Nathalie Boutonnet , Jurgen Pletinckx , Krista De Clercq , Ignace Lasters
发明人： Johan Desmet , Geert Meersseman , Nathalie Boutonnet , Jurgen Pletinckx , Krista De Clercq , Ignace Lasters
IPC分类号： G01N33/68
摘要： The present invention is related to a quantitative structure-based affinity scoring method for peptide/protein complexes. More specifically, the present invention comprises a method that operates on the basis of a highly specific force field function (e.g. CHARMM) that is applied to all-atom structural representations of peptide/receptor complexes. Peptide side-chain contributions to total affinity are scored after detailed rotameric sampling followed by controlled energy refinement. The method of the invention further comprises a de novo approach to estimate dehydration energies from the simulation of individual amino acids in a solvent box filled with explicit water molecules and applying the same force field function as used to evaluate peptide/receptor complex interactions.
摘要翻译： 本发明涉及肽/蛋白复合物的基于定量结构的亲和评分方法。 更具体地说，本发明包括一种基于应用于肽/受体复合物的全原子结构表示的高度特异性的力场函数（例如CHARMM）来操作的方法。 在详细的旋转异构体取样之后进行受控能量细化，对总亲和力的肽侧链贡献进行评分。 本发明的方法还包括从填充有显性水分子的溶剂盒中的各个氨基酸的模拟估算脱水能量并应用用于评估肽/受体复合物相互作用的相同的力场函数的从头方法。
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