分子识别的动力学方面。 - Suppr

Suppr

超能文献

Dynamical aspects of molecular recognition.

作者信息

Karplus Martin

机构信息

Department of Chemistry & Chemical Biology, 12 Oxford Street, Harvard University Cambridge, Massachusetts 02138, USA.

出版信息

J Mol Recognit. 2010 Mar-Apr;23(2):102-4. doi: 10.1002/jmr.1018.

DOI:10.1002/jmr.1018

PMID:20151415

Abstract

摘要

相似文献

Dynamical aspects of molecular recognition.

J Mol Recognit. 2010 Mar-Apr;23(2):102-4. doi: 10.1002/jmr.1018.

Recognition templates for predicting adenylate-binding sites in proteins.

J Mol Biol. 2001 Dec 14;314(5):1245-55. doi: 10.1006/jmbi.2000.5201.

A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins.

J Chem Inf Comput Sci. 2003 Sep-Oct;43(5):1576-83. doi: 10.1021/ci034052u.

Protein ligand interaction database (PLID).

Comput Biol Chem. 2008 Oct;32(5):387-90. doi: 10.1016/j.compbiolchem.2008.03.017. Epub 2008 Apr 8.

Single-molecule study of protein-protein and protein-DNA interaction dynamics.

Methods Mol Biol. 2005;305:385-414. doi: 10.1385/1-59259-912-5:385.

Contribution of ligand desolvation to binding thermodynamics in a ligand-protein interaction.

Angew Chem Int Ed Engl. 2006 Sep 25;45(38):6374-6. doi: 10.1002/anie.200602227.

Physics-based methods for studying protein-ligand interactions.

Curr Opin Drug Discov Devel. 2007 May;10(3):325-31.

Quantum mechanical scoring for protein docking.

J Chem Phys. 2009 Oct 7;131(13):134108. doi: 10.1063/1.3239504.

Structural parameterization of the binding enthalpy of small ligands.

Proteins. 2002 Nov 1;49(2):181-90. doi: 10.1002/prot.10208.

Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.

J Phys Chem B. 2009 Jun 25;113(25):8717-24. doi: 10.1021/jp901196n.

引用本文的文献

MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment.

J Chem Inf Model. 2020 Nov 23;60(11):5437-5456. doi: 10.1021/acs.jcim.0c00618. Epub 2020 Sep 11.

Relative Binding Enthalpies from Molecular Dynamics Simulations Using a Direct Method.

J Chem Theory Comput. 2014 Jul 8;10(7):2759-2768. doi: 10.1021/ct500200n. Epub 2014 Jun 12.

Fast and accurate fitting of relaxation dispersion data using the flexible software package GLOVE.

J Biomol NMR. 2013 Jul;56(3):275-83. doi: 10.1007/s10858-013-9747-5. Epub 2013 Jun 11.

Elucidating slow binding kinetics of a protein without observable bound resonances by longitudinal relaxation NMR spectroscopy.

J Biomol NMR. 2011 Jul;50(3):219-27. doi: 10.1007/s10858-011-9511-7. Epub 2011 May 28.

Advances in all atom sampling methods for modeling protein-ligand binding affinities.

Curr Opin Struct Biol. 2011 Apr;21(2):161-6. doi: 10.1016/j.sbi.2011.01.010. Epub 2011 Feb 19.

Molecular motions in drug design: the coming age of the metadynamics method.

J Comput Aided Mol Des. 2011 May;25(5):395-402. doi: 10.1007/s10822-011-9415-3. Epub 2011 Feb 17.

文献AI研究员

20分钟写一篇综述，助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型，支持多种主流文档格式。

立即体验

相似文献

Dynamical aspects of molecular recognition.

J Mol Recognit. 2010 Mar-Apr;23(2):102-4. doi: 10.1002/jmr.1018.

Recognition templates for predicting adenylate-binding sites in proteins.

J Mol Biol. 2001 Dec 14;314(5):1245-55. doi: 10.1006/jmbi.2000.5201.

A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins.

J Chem Inf Comput Sci. 2003 Sep-Oct;43(5):1576-83. doi: 10.1021/ci034052u.

Protein ligand interaction database (PLID).

Comput Biol Chem. 2008 Oct;32(5):387-90. doi: 10.1016/j.compbiolchem.2008.03.017. Epub 2008 Apr 8.

Single-molecule study of protein-protein and protein-DNA interaction dynamics.

Methods Mol Biol. 2005;305:385-414. doi: 10.1385/1-59259-912-5:385.

Contribution of ligand desolvation to binding thermodynamics in a ligand-protein interaction.

Angew Chem Int Ed Engl. 2006 Sep 25;45(38):6374-6. doi: 10.1002/anie.200602227.

Physics-based methods for studying protein-ligand interactions.

Curr Opin Drug Discov Devel. 2007 May;10(3):325-31.

Quantum mechanical scoring for protein docking.

J Chem Phys. 2009 Oct 7;131(13):134108. doi: 10.1063/1.3239504.

Structural parameterization of the binding enthalpy of small ligands.

Proteins. 2002 Nov 1;49(2):181-90. doi: 10.1002/prot.10208.

Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy.

J Phys Chem B. 2009 Jun 25;113(25):8717-24. doi: 10.1021/jp901196n.

引用本文的文献

MovableType Software for Fast Free Energy-Based Virtual Screening: Protocol Development, Deployment, Validation, and Assessment.

J Chem Inf Model. 2020 Nov 23;60(11):5437-5456. doi: 10.1021/acs.jcim.0c00618. Epub 2020 Sep 11.

Relative Binding Enthalpies from Molecular Dynamics Simulations Using a Direct Method.

J Chem Theory Comput. 2014 Jul 8;10(7):2759-2768. doi: 10.1021/ct500200n. Epub 2014 Jun 12.

Fast and accurate fitting of relaxation dispersion data using the flexible software package GLOVE.

J Biomol NMR. 2013 Jul;56(3):275-83. doi: 10.1007/s10858-013-9747-5. Epub 2013 Jun 11.

Elucidating slow binding kinetics of a protein without observable bound resonances by longitudinal relaxation NMR spectroscopy.

J Biomol NMR. 2011 Jul;50(3):219-27. doi: 10.1007/s10858-011-9511-7. Epub 2011 May 28.

Advances in all atom sampling methods for modeling protein-ligand binding affinities.

Curr Opin Struct Biol. 2011 Apr;21(2):161-6. doi: 10.1016/j.sbi.2011.01.010. Epub 2011 Feb 19.

Molecular motions in drug design: the coming age of the metadynamics method.

J Comput Aided Mol Des. 2011 May;25(5):395-402. doi: 10.1007/s10822-011-9415-3. Epub 2011 Feb 17.