Origins of the Activity of PAL and LAP Enzyme Inhibitors: Toward Ab Initio Binding Affinity Prediction-Reference-Cited by-同舟云学术

Origins of the Activity of PAL and LAP Enzyme Inhibitors: Toward Ab Initio Binding Affinity Prediction

Published:2005-01-22 Issue:6 Volume:127 Page:1658-1659
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Dyguda Edyta¹,Grembecka Jolanta¹,Sokalski W. Andrzej¹,Leszczyński Jerzy¹

Affiliation:

1. Department of Chemistry, Wrocław University of Technology, Wyb. Wyspiańskiego 27, 50-370 Wrocław, Poland, University of Virginia, Charlottesville, Virginia, and Jackson State University, Jackson, Mississippi

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja042691v

Reference9 articles.

1. Binding Affinities of Host–Guest, Protein–Ligand, and Protein–Transition-State Complexes

2. Binding Affinity and Specificity from Computational Studies

3. Quantum chemical calculation of the enzyme-ligand interaction energy for trypsin inhibition by benzamidines

4. Sokalski, W. A.; Kedzierski, P.; Grembecka, J.; Dziekonski, P.; Strasburger, K. InComputational Molecular Biology; Leszczynski, J., Ed.; Elsevier: Amsterdam, 1999; p 369.

5. An efficient procedure for decomposition of the SCF interaction energy into components with reduced basis set dependence

Cited by 22 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Experimental and computational models to understand protein-ligand, metal-ligand and metal-DNA interactions pertinent to targeted cancer and other therapies;European Journal of Medicinal Chemistry Reports;2024-04

2. Validation of approximate nonempirical scoring model for menin-mixed lineage leukemia inhibitors;Theoretical Chemistry Accounts;2018-10-25

3. Theoretical Model of EphA2-Ephrin A1 Inhibition;Molecules;2018-07-11

4. Application of a simple quantum chemical approach to ligand fragment scoring for Trypanosoma brucei pteridine reductase 1 inhibition;Journal of Computer-Aided Molecular Design;2017-07-07

5. Theoretical models of inhibitory activity for inhibitors of protein–protein interactions: targeting menin–mixed lineage leukemia with small molecules;MedChemComm;2017