Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexes (Q67231633)

Development and validation of a genetic algorithm for flexible docking

21 January 2018

1 reference

A fast flexible docking method using an incremental construction algorithm.

21 January 2018

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Medium- and long-range interaction parameters between amino acids for predicting three-dimensional structures of proteins

21 January 2018

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Calculation of conformational ensembles from potentials of mean force. An approach to the knowledge-based prediction of local structures in globular proteins.

21 January 2018

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Identification of native protein folds amongst a large number of incorrect models. The calculation of low energy conformations from potentials of mean force

21 January 2018

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Novel knowledge-based mean force potential at atomic level

21 January 2018

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Extracting contact energies from protein structures: a study using a simplified model

21 January 2018

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Helmholtz free energy of peptide hydrogen bonds in proteins

21 January 2018

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Inter-residue potentials in globular proteins and the dominance of highly specific hydrophilic interactions at close separation

21 January 2018

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Knowledge-based potentials for proteins

21 January 2018

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Empirical free energy calculations of ligand-protein crystallographic complexes. I. Knowledge-based ligand-protein interaction potentials applied to the prediction of human immunodeficiency virus 1 protease binding affinity.

21 January 2018

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A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

21 January 2018

1 reference

Knowledge-based scoring function to predict protein-ligand interactions.

21 January 2018

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Analysis of knowledge-based protein-ligand potentials using a self-consistent method

21 January 2018

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Statistical potentials extracted from protein structures: how accurate are they?

21 January 2018

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Why do protein architectures have Boltzmann-like statistics?

21 January 2018

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Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein

21 January 2018

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Influence of protein structure databases on the predictive power of statistical pair potentials

21 January 2018

1 reference

21 January 2018

The Protein Data Bank

1 reference

CATH--a hierarchic classification of protein domain structures

21 January 2018

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An all atom force field for simulations of proteins and nucleic acids

21 January 2018

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Validation of the general purpose Tripos 5.2 force field

21 January 2018

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Crystallographic and calorimetric analysis of peptide binding to OppA protein

21 January 2018

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Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond

21 January 2018

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Long-distance potentials: an approach to the multiple-minima problem in ligand-receptor interaction.

21 January 2018

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Relocating a negative charge in the binding pocket of trypsin

21 January 2018

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RNase T1 mutant Glu46Gln binds the inhibitors 2'GMP and 2'AMP at the 3' subsite

21 January 2018

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Application of crystallographic and modeling methods in the design of purine nucleoside phosphorylase inhibitors

21 January 2018

1 reference

The anticoagulant activation of antithrombin by heparin

21 January 2018

1 reference

Crystallographic refinement of human serum retinol binding protein at 2A resolution

21 January 2018

1 reference

Hydroxyethylene isostere inhibitors of human immunodeficiency virus-1 protease: structure-activity analysis using enzyme kinetics, X-ray crystallography, and infected T-cell assays

21 January 2018

1 reference

Structure of the complex between adenylate kinase from Escherichia coli and the inhibitor Ap5A refined at 1.9 A resolution. A model for a catalytic transition state

21 January 2018

1 reference

The adaptability of the active site of trypanosomal triosephosphate isomerase as observed in the crystal structures of three different complexes

21 January 2018

1 reference

Refined crystal structure of dogfish M4 apo-lactate dehydrogenase

21 January 2018

1 reference

Molecular basis of crossreactivity and the limits of antibody-antigen complementarity

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.1036

0 references

DBLP publication ID

journals/jcc/NobeliMAT01

1 reference

DBLP Dataset 2021-01-02