scholarly article | Q13442814 |
P8978 | DBLP publication ID | journals/jcamd/ZhouWTRYH13 |
P356 | DOI | 10.1007/S10822-012-9625-3 |
P2888 | exact match | https://scigraph.springernature.com/pub.10.1007/s10822-012-9625-3 |
P698 | PubMed publication ID | 23306464 |
P50 | author | Jian Huang | Q50288719 |
P2093 | author name string | Peng Zhou | |
Chao Yang | |||
Congcong Wang | |||
Feifei Tian | |||
Yanrong Ren | |||
P2860 | cites work | The Protein Data Bank | Q24515306 |
A structure-based benchmark for protein-protein binding affinity | Q24631621 | ||
Improved prediction of protein side-chain conformations with SCWRL4 | Q24634442 | ||
Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect | Q27679214 | ||
HADDOCK: a protein-protein docking approach based on biochemical or biophysical information | Q27860814 | ||
Satisfying hydrogen bonding potential in proteins | Q27860940 | ||
The atomic structure of protein-protein recognition sites | Q27861113 | ||
Close-range electrostatic interactions in proteins | Q28204004 | ||
A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes | Q28242753 | ||
Are scoring functions in protein-protein docking ready to predict interactomes? Clues from a novel binding affinity benchmark | Q28277502 | ||
Quantitative nanostructure-activity relationship modeling | Q28385022 | ||
Protein-protein interaction hotspots carved into sequences | Q28469249 | ||
Beware of q2! | Q28842863 | ||
A simple physical model for binding energy hot spots in protein-protein complexes | Q28914753 | ||
An efficient newton-like method for molecular mechanics energy minimization of large molecules | Q29543705 | ||
Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation | Q29616387 | ||
Very fast empirical prediction and rationalization of protein pKa values | Q29619767 | ||
Toward quantitative characterization of the binding profile between the human amphiphysin-1 SH3 domain and its peptide ligands | Q30157169 | ||
Modeling and prediction of binding affinities between the human amphiphysin SH3 domain and its peptide ligands using genetic algorithm-Gaussian processes | Q30157509 | ||
Configurational entropy elucidates the role of salt-bridge networks in protein thermostability. | Q30362522 | ||
2D depiction of nonbonding interactions for protein complexes. | Q30372873 | ||
Flexibility and binding affinity in protein-ligand, protein-protein and multi-component protein interactions: limitations of current computational approaches. | Q31033753 | ||
The role of quantitative structure--activity relationships (QSAR) in biomolecular discovery. | Q31052141 | ||
Binding affinity prediction with different force fields: examination of the linear interaction energy method | Q33202843 | ||
A "solvated rotamer" approach to modeling water-mediated hydrogen bonds at protein-protein interfaces | Q33210885 | ||
Combination of scoring schemes for protein docking | Q33293220 | ||
Enzymes/non-enzymes classification model complexity based on composition, sequence, 3D and topological indices. | Q33349646 | ||
Profile-QSAR: a novel meta-QSAR method that combines activities across the kinase family to accurately predict affinity, selectivity, and cellular activity | Q33930767 | ||
Visualizing and quantifying molecular goodness-of-fit: small-probe contact dots with explicit hydrogen atoms | Q34489213 | ||
Medicinal chemistry and bioinformatics--current trends in drugs discovery with networks topological indices | Q34629163 | ||
Quantitative structure-toxicity relationships by accelerated cytotoxicity mechanism screening | Q35674865 | ||
Cellular quantitative structure-activity relationship (Cell-QSAR): conceptual dissection of receptor binding and intracellular disposition in antifilarial activities of Selwood antimycins | Q35917151 | ||
The advantages and limitations of protein crystal structures. | Q35998165 | ||
A role for surface hydrophobicity in protein-protein recognition | Q36278536 | ||
Application of a polarizable force field to calculations of relative protein-ligand binding affinities | Q36802557 | ||
Hot spots--a review of the protein-protein interface determinant amino-acid residues | Q36839286 | ||
QSAR and QSPR model interpretation using partial least squares (PLS) analysis | Q38002093 | ||
Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability prediction | Q38270534 | ||
Analysis of the stability of multimeric proteins by effective DeltaG and effective m-values | Q41838807 | ||
Contributions of a hydrogen bond/salt bridge network to the stability of secondary and tertiary structure in lambda repressor | Q42064269 | ||
Hydrophobic folding units at protein-protein interfaces: implications to protein folding and to protein-protein association | Q42845982 | ||
ProMate: a structure based prediction program to identify the location of protein-protein binding sites | Q44819444 | ||
Computational methodology for estimating changes in free energies of biomolecular association upon mutation. The importance of bound water in dimer-tetramer assembly for beta 37 mutant hemoglobins. | Q44868583 | ||
Characterization of the binding profile of peptide to transporter associated with antigen processing (TAP) using Gaussian process regression. | Q45961660 | ||
Gaussian process: a promising approach for the modeling and prediction of Peptide binding affinity to MHC proteins. | Q45962093 | ||
Predicting the Flexibility Profile of Ribosomal RNAs. | Q45962546 | ||
Gaussian processes: a method for automatic QSAR modeling of ADME properties. | Q45965307 | ||
A physical reference state unifies the structure-derived potential of mean force for protein folding and binding. | Q47430872 | ||
Hydrogen bonds and salt bridges across protein-protein interfaces | Q47626463 | ||
Systematic Classification and Analysis of Themes in Protein−DNA Recognition | Q48063379 | ||
2D-RNA-coupling numbers: a new computational chemistry approach to link secondary structure topology with biological function | Q48081778 | ||
Prediction of critical micelle concentration of nonionic surfactants by a quantitative structure - property relationship. | Q50784186 | ||
Structure-based prediction of protein-protein binding affinity with consideration of allosteric effect. | Q51496556 | ||
Complex network spectral moments for ATCUN motif DNA cleavage: first predictive study on proteins of human pathogen parasites. | Q51786184 | ||
Comprehensive comparison of eight statistical modelling methods used in quantitative structure-retention relationship studies for liquid chromatographic retention times of peptides generated by protease digestion of the Escherichia coli proteome. | Q51809098 | ||
Gaussian process: an alternative approach for QSAM modeling of peptides. | Q51857568 | ||
In silico quantitative prediction of peptides binding affinity to human MHC molecule: an intuitive quantitative structure-activity relationship approach. | Q51874585 | ||
Structural alignment of protein--DNA interfaces: insights into the determinants of binding specificity. | Q51980589 | ||
ZDOCK: an initial-stage protein-docking algorithm. | Q52015255 | ||
Genetic Algorithm guided Selection: variable selection and subset selection. | Q52036280 | ||
PLS-regression: a basic tool of chemometrics | Q56454404 | ||
Convergence Conditions for Ascent Methods | Q56560305 | ||
Peptide-mediated interactions in biological systems: new discoveries and applications | Q57011752 | ||
D-Optimal Designs in QSAR | Q58137186 | ||
Fluorine bonding--how does it work in protein-ligand interactions? | Q84594961 | ||
Characterization of PDZ domain-peptide interactions using an integrated protocol of QM/MM, PB/SA, and CFEA analyses | Q85028582 | ||
P433 | issue | 1 | |
P921 | main subject | protein structure | Q735188 |
quantitative structure-activity relationship | Q766383 | ||
protein structure prediction | Q899656 | ||
P304 | page(s) | 67-78 | |
P577 | publication date | 2013-01-10 | |
P1433 | published in | Journal of Computer - Aided Molecular Design | Q15766522 |
P1476 | title | Biomacromolecular quantitative structure-activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein-protein binding affinity. | |
P478 | volume | 27 |
Q87797011 | A functional feature analysis on diverse protein-protein interactions: application for the prediction of binding affinity |
Q38781273 | An unexpected way forward: towards a more accurate and rigorous protein-protein binding affinity scoring function by eliminating terms from an already simple scoring function |
Q38992640 | Computational Approaches for Predicting Binding Partners, Interface Residues, and Binding Affinity of Protein-Protein Complexes |
Q35107348 | Minimalistic predictor of protein binding energy: contribution of solvation factor to protein binding |
Q30009536 | Modeling protein-peptide recognition based on classical quantitative structure-affinity relationship approach: implication for proteome-wide inference of peptide-mediated interactions |
Q48368099 | Peptide selectivity between the PDZ domains of human pregnancy-related serine proteases (HtrA1, HtrA2, HtrA3, and HtrA4) can be reshaped by different halogen probes. |
Q93012384 | PreDBA: A heterogeneous ensemble approach for predicting protein-DNA binding affinity |
Q35002283 | The scoring of poses in protein-protein docking: current capabilities and future directions |
Search more.