Applying Physics-Based Scoring to Calculate Free Energies of Binding for Single Amino Acid Mutations in Protein-Protein Complexes
出版年份 2013 全文链接
标题
Applying Physics-Based Scoring to Calculate Free Energies of Binding for Single Amino Acid Mutations in Protein-Protein Complexes
作者
关键词
-
出版物
PLoS One
Volume 8, Issue 12, Pages e82849
出版商
Public Library of Science (PLoS)
发表日期
2013-12-11
DOI
10.1371/journal.pone.0082849
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。- Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
- (2013) G. Madhavi Sastry et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Engineering Protein Therapeutics: Predictive Performances of a Structure-Based Virtual Affinity Maturation Protocol
- (2012) Michael Oberlin et al. Journal of Chemical Information and Modeling
- Quantitative Predictions of Binding Free Energy Changes in Drug-Resistant Influenza Neuraminidase
- (2012) Daniel R. Ripoll et al. PLoS Computational Biology
- Contribution of Explicit Solvent Effects to the Binding Affinity of Small-Molecule Inhibitors in Blood Coagulation Factor Serine Proteases
- (2011) Robert Abel et al. ChemMedChem
- Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase
- (2011) P. W. Snyder et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- The VSGB 2.0 model: A next generation energy model for high resolution protein structure modeling
- (2011) Jianing Li et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Structural Determinants of Affinity Enhancement between GoLoco Motifs and G-Protein α Subunit Mutants
- (2010) Dustin E. Bosch et al. JOURNAL OF BIOLOGICAL CHEMISTRY
- Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field
- (2010) Devleena Shivakumar et al. Journal of Chemical Theory and Computation
- An exciting but challenging road ahead for computational enzyme design
- (2010) David Baker PROTEIN SCIENCE
- Computational alanine scanning with linear scaling semiempirical quantum mechanical methods
- (2010) David J. Diller et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Improving computational protein design by using structure-derived sequence profile
- (2010) Liang Dai et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Directed enzyme evolution: climbing fitness peaks one amino acid at a time
- (2009) Cara A Tracewell et al. CURRENT OPINION IN CHEMICAL BIOLOGY
- Design of protein-interaction specificity gives selective bZIP-binding peptides
- (2009) Gevorg Grigoryan et al. NATURE
- High-energy water sites determine peptide binding affinity and specificity of PDZ domains
- (2009) Thijs Beuming et al. PROTEIN SCIENCE
- Computational design of second-site suppressor mutations at protein-protein interfaces
- (2009) Deanne W. Sammond et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Kemp elimination catalysts by computational enzyme design
- (2008) Daniela Röthlisberger et al. NATURE
- Very fast prediction and rationalization of pKa values for protein-ligand complexes
- (2008) Delphine C. Bas et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Computationally Mapping Sequence Space To Understand Evolutionary Protein Engineering
- (2007) K.A. Armstrong et al. BIOTECHNOLOGY PROGRESS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreDiscover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversation