Improved mapping of protein binding sites (Q30844880)

27 June 2017

Improved mapping of protein binding sites (English)

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27 June 2017

Tamas Kortvelyesi

1

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27 June 2017

Michael Silberstein

series ordinal

2

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27 June 2017

Sheldon Dennis

series ordinal

3

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27 June 2017

Sandor Vajda

series ordinal

4

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27 June 2017

1 February 2003

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Journal of Computer - Aided Molecular Design

27 June 2017

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27 June 2017

17

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27 June 2017

173-186

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27 June 2017

2-4

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Structure-based discovery of small molecule inhibitors targeted to protein tyrosine phosphatase 1B

27 June 2017

1 reference

12 December 2020

Proteins in organic solvents

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12 December 2020

Effect of Conformational Flexibility and Solvation on Receptor-Ligand Binding Free Energies

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12 December 2020

Locating and characterizing binding sites on proteins

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12 December 2020

HOOK: a program for finding novel molecular architectures that satisfy the chemical and steric requirements of a macromolecule binding site

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12 December 2020

Organic solvents identify specific ligand binding sites on protein surfaces

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12 December 2020

CLIX: A search algorithm for finding novel ligands capable of binding proteins of known three‐dimensional structure

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12 December 2020

Functionality maps of binding sites: a multiple copy simultaneous search method

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12 December 2020

Experimental and computational mapping of the binding surface of a crystalline protein

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12 December 2020

Computational mapping identifies the binding sites of organic solvents on proteins

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12 December 2020

Structure of lysozyme dissolved in neat organic solvents as assessed by NMR and CD spectroscopies

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12 December 2020

A continuum model for protein-protein interactions: application to the docking problem.

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12 December 2020

NMR screening in drug discovery.

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12 December 2020

Calculation of the total electrostatic energy of a macromolecular system: solvation energies, binding energies, and conformational analysis

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12 December 2020

Classical electrostatics in biology and chemistry

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12 December 2020

Site-directed ligand discovery

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12 December 2020

Algorithms for computational solvent mapping of proteins

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12 December 2020

Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol

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12 December 2020

Protein-tyrosine phosphatases: structure, mechanism, and inhibitor discovery

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12 December 2020

Prediction of protein complexes using empirical free energy functions

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12 December 2020

Discovering high-affinity ligands for proteins: SAR by NMR

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12 December 2020

NMR in drug discovery

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12 December 2020

Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase

1 reference

12 December 2020

Determination of atomic desolvation energies from the structures of crystallized proteins.

1 reference

12 December 2020

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

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12 December 2020

Affinity and specificity of serine endopeptidase-protein inhibitor interactions. Empirical free energy calculations based on X-ray crystallographic structures.

1 reference

12 December 2020

Fast prediction and visualization of protein binding pockets with PASS.

1 reference

12 December 2020

Molecular docking and high-throughput screening for novel inhibitors of protein tyrosine phosphatase-1B.

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1025369923311

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journals/jcamd/KortvelyesiSDV03

27 June 2017

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

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