Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques
出版年份 2017 全文链接
标题
Prediction of the interaction of metallic moieties with proteins: An update for protein-ligand docking techniques
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 39, Issue 1, Pages 42-51
出版商
Wiley
发表日期
2017-10-27
DOI
10.1002/jcc.25080
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Elucidation of Binding Site and Chiral Specificity of Oxidovanadium Drugs with Lysozyme through Theoretical Calculations
- (2017) Giuseppe Sciortino et al. INORGANIC CHEMISTRY
- GaudiMM: A modular multi-objective platform for molecular modeling
- (2017) Jaime Rodríguez-Guerra Pedregal et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin
- (2016) Yoshitsugu Morita et al. INORGANIC CHEMISTRY
- Cisplatin binding to human serum albumin: a structural study
- (2015) Giarita Ferraro et al. CHEMICAL COMMUNICATIONS
- Vanadium and proteins: Uptake, transport, structure, activity and function
- (2015) João Costa Pessoa et al. COORDINATION CHEMISTRY REVIEWS
- Noble metals in medicine: Latest advances
- (2015) Serenella Medici et al. COORDINATION CHEMISTRY REVIEWS
- Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding
- (2015) Carolin Mügge et al. INORGANIC CHEMISTRY
- DOCKTITE—A Highly Versatile Step-by-Step Workflow for Covalent Docking and Virtual Screening in the Molecular Operating Environment
- (2015) Christoph Scholz et al. Journal of Chemical Information and Modeling
- OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
- (2015) Edward Harder et al. Journal of Chemical Theory and Computation
- Improvements, trends, and new ideas in molecular docking: 2012-2013 in review
- (2015) Elizabeth Yuriev et al. JOURNAL OF MOLECULAR RECOGNITION
- Covalent docking using autodock: Two-point attractor and flexible side chain methods
- (2015) Giulia Bianco et al. PROTEIN SCIENCE
- Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation
- (2015) T. R. M. Barends et al. SCIENCE
- Toward the Computational Design of Artificial Metalloenzymes: From Protein–Ligand Docking to Multiscale Approaches
- (2015) Victor Muñoz Robles et al. ACS Catalysis
- Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin
- (2015) Ivan Shabalin et al. ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY
- Spectroscopic and Computational Study of a Nonheme Iron Nitrosyl Center in a Biosynthetic Model of Nitric Oxide Reductase
- (2014) Saumen Chakraborty et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Distal Regulation of Heme Binding of Heme Oxygenase-1 Mediated by Conformational Fluctuations
- (2014) Erisa Harada et al. BIOCHEMISTRY
- Metallodrugs in Medicinal Inorganic Chemistry
- (2014) Katja Dralle Mjos et al. CHEMICAL REVIEWS
- Vanadium Complexes as Prospective Therapeutics: Structural Characterization of a VIVLysozyme Adduct
- (2014) Marino F. A. Santos et al. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
- Force Field Independent Metal Parameters Using a Nonbonded Dummy Model
- (2014) Fernanda Duarte et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Unravelling novel synergies between organometallic and biological partners: a quantum mechanics/molecular mechanics study of an artificial metalloenzyme
- (2014) E. Ortega-Carrasco et al. Journal of the Royal Society Interface
- Interaction of Insulin-Enhancing Vanadium Compounds with Human Serum holo-Transferrin
- (2013) Daniele Sanna et al. INORGANIC CHEMISTRY
- Peculiar Features in the Crystal Structure of the Adduct Formed between cis-PtI2(NH3)2 and Hen Egg White Lysozyme
- (2013) Luigi Messori et al. INORGANIC CHEMISTRY
- C(sp3)–H Bond Hydroxylation Catalyzed by Myoglobin Reconstituted with Manganese Porphycene
- (2013) Koji Oohora et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- CovalentDock: Automated covalent docking with parameterized covalent linkage energy estimation and molecular geometry constraints
- (2012) Xuchang Ouyang et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Interactions of anticancer Pt compounds with proteins: an overlooked topic in medicinal inorganic chemistry?
- (2012) Angela Casini et al. Chemical Science
- The binding and transport of alternative metals by transferrin
- (2011) John B. Vincent et al. BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS
- CORM-3 Reactivity toward Proteins: The Crystal Structure of a Ru(II) Dicarbonyl−Lysozyme Complex
- (2011) Teresa Santos-Silva et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
- (2010) Daisuke Iyaguchi et al. BIOORGANIC & MEDICINAL CHEMISTRY
- Specific derivatization of lysozyme in aqueous solution with Re(CO)3(H2O)3+
- (2010) Sarah L. Binkley et al. CHEMICAL COMMUNICATIONS
- What can molecular modelling bring to the design of artificial inorganic cofactors?
- (2010) Victor Muñoz Robles et al. FARADAY DISCUSSIONS
- Insights into the Reaction of Protein-tyrosine Phosphatase 1B
- (2010) Tiago A. S. Brandão et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
- (2009) Garrett M. Morris et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now