标题
Stacking Interactions of Heterocyclic Drug Fragments with Protein Amide Backbones
作者
关键词
-
出版物
ChemMedChem
Volume 13, Issue 8, Pages 835-841
出版商
Wiley
发表日期
2018-02-16
DOI
10.1002/cmdc.201700721
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。- Chiral phosphoric acid catalysis: from numbers to insights
- (2018) Rajat Maji et al. CHEMICAL SOCIETY REVIEWS
- The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization
- (2017) Lewis D. Pennington et al. JOURNAL OF MEDICINAL CHEMISTRY
- Role of Urea–Aromatic Stacking Interactions in Stabilizing the Aromatic Residues of the Protein in Urea-Induced Denatured State
- (2017) Siddharth Goyal et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Exploiting non-covalent π interactions for catalyst design
- (2017) Andrew J. Neel et al. NATURE
- Software update: the ORCA program system, version 4.0
- (2017) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
- Noncovalent Interactions in Organocatalysis and the Prospect of Computational Catalyst Design
- (2016) Steven E. Wheeler et al. ACCOUNTS OF CHEMICAL RESEARCH
- Fragment Linking and Optimization of Inhibitors of the Aspartic Protease Endothiapepsin: Fragment-Based Drug Design Facilitated by Dynamic Combinatorial Chemistry
- (2016) Milon Mondal et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Fluorine Scan of Inhibitors of the Cysteine Protease Human Cathepsin L: Dipolar and Quadrupolar Effects in the π-Stacking of Fluorinated Phenyl Rings on Peptide Amide Bonds
- (2016) Maude Giroud et al. ChemMedChem
- Stacking Interactions between 9-Methyladenine and Heterocycles Commonly Found in Pharmaceuticals
- (2016) Yi An et al. Journal of Chemical Information and Modeling
- Targeting the protein backbone with aryl halides: systematic comparison of halogen bonding and π⋯π interactions using N-methylacetamide
- (2016) M. O. Zimmermann et al. MedChemComm
- Discovery of Fluoromethylketone-Based Peptidomimetics as Covalent ATG4B (Autophagin-1) Inhibitors
- (2016) Zongxing Qiu et al. ACS Medicinal Chemistry Letters
- Molecular Recognition in Chemical and Biological Systems
- (2015) Elke Persch et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic
- (2015) Birgit S. Lauber et al. CHEMISTRY-A EUROPEAN JOURNAL
- Structure-Based Optimization of Inhibitors of the Aspartic Protease Endothiapepsin
- (2015) Alwin Hartman et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals
- (2015) Peter Pinski et al. JOURNAL OF CHEMICAL PHYSICS
- Quantifying the π-Stacking Interactions in Nitroarene Binding Sites of Proteins
- (2015) Yi An et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Anion–π interactions and positive electrostatic potentials of N-heterocycles arise from the positions of the nuclei, not changes in the π-electron distribution
- (2014) Steven E. Wheeler et al. CHEMICAL COMMUNICATIONS
- Heteroaromatic π-Stacking Energy Landscapes
- (2014) Roland G. Huber et al. Journal of Chemical Information and Modeling
- Analysis of the Structural Diversity, Substitution Patterns, and Frequency of Nitrogen Heterocycles among U.S. FDA Approved Pharmaceuticals
- (2014) Edon Vitaku et al. JOURNAL OF MEDICINAL CHEMISTRY
- Toward a More Complete Understanding of Noncovalent Interactions Involving Aromatic Rings
- (2014) Steven E. Wheeler et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Efficient Stacking on Protein Amide Fragments
- (2013) Michael Harder et al. ChemMedChem
- Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-ray Crystal Structure Analysis with Human Cathepsin L
- (2013) Veronika Ehmke et al. ChemMedChem
- Natural triple excitations in local coupled cluster calculations with pair natural orbitals
- (2013) Christoph Riplinger et al. JOURNAL OF CHEMICAL PHYSICS
- An efficient and near linear scaling pair natural orbital based local coupled cluster method
- (2013) Christoph Riplinger et al. JOURNAL OF CHEMICAL PHYSICS
- Broad Transferability of Substituent Effects in π-Stacking Interactions Provides New Insights into Their Origin
- (2013) Rajesh K. Raju et al. Journal of Chemical Theory and Computation
- Understanding Substituent Effects in Noncovalent Interactions Involving Aromatic Rings
- (2012) Steven E. Wheeler ACCOUNTS OF CHEMICAL RESEARCH
- Rethinking the term “pi-stacking”
- (2012) Chelsea R. Martinez et al. Chemical Science
- Taking the Aromaticity out of Aromatic Interactions
- (2011) Jacob W. G. Bloom et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
- (2011) Laura M. Salonen et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Molecular Recognition at the Active Site of Factor Xa: Cation-π Interactions, Stacking on Planar Peptide Surfaces, and Replacement of Structural Water
- (2011) Laura M. Salonen et al. CHEMISTRY-A EUROPEAN JOURNAL
- Substituent Effects on Non-Covalent Interactions with Aromatic Rings: Insights from Computational Chemistry
- (2011) Rajesh K. Raju et al. CHEMPHYSCHEM
- Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals
- (2011) Lori A. Burns et al. JOURNAL OF CHEMICAL PHYSICS
- Local Nature of Substituent Effects in Stacking Interactions
- (2011) Steven E. Wheeler JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- A Medicinal Chemist’s Guide to Molecular Interactions
- (2010) Caterina Bissantz et al. JOURNAL OF MEDICINAL CHEMISTRY
- Binding Mechanisms in Supramolecular Complexes
- (2009) Hans-Jörg Schneider ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis
- (2009) Frank Neese et al. JOURNAL OF CHEMICAL PHYSICS
- Do Special Noncovalent π–π Stacking Interactions Really Exist?
- (2008) Stefan Grimme ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Systematic optimization of long-range corrected hybrid density functionals
- (2008) Jeng-Da Chai et al. JOURNAL OF CHEMICAL PHYSICS
- Design, Structure−Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors⊥‡
- (2008) Yan Shi et al. JOURNAL OF MEDICINAL CHEMISTRY
- Substituent Effects in the Benzene Dimer are Due to Direct Interactions of the Substituents with the Unsubstituted Benzene
- (2008) Steven E. Wheeler et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Add 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 NowAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started