Docking flexible ligands in proteins with a solvent exposure- and distance-dependent dielectric function (Q33527932)

27 July 2017

Docking flexible ligands in proteins with a solvent exposure- and distance-dependent dielectric function (English)

1 reference

27 July 2017

Daniel P Garden

1

1 reference

PubMed ID

20119653

27 July 2017

Boris S Zhorov

series ordinal

2

1 reference

PubMed ID

20119653

27 July 2017

language of work or name

1 reference

30 January 2010

1 reference

Journal of Computer - Aided Molecular Design

27 July 2017

1 reference

27 July 2017

24

1 reference

27 July 2017

2

1 reference

27 July 2017

91-105

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-009-9317-9

27 July 2017

0 references

cites work

Chloride channels of glycine and GABA receptors with blockers: Monte Carlo minimization and structure-activity relationships

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-009-9317-9

A new implicit solvent model for protein-ligand docking.

21 January 2018

1 reference

12 December 2020

Monte Carlo-minimized energy profile of estradiol in the ligand-binding tunnel of 17 beta-hydroxysteroid dehydrogenase: atomic mechanisms of steroid recognition

1 reference

12 December 2020

Structural model for dihydropyridine binding to L-type calcium channels

1 reference

12 December 2020

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

1 reference

12 December 2020

Assessing scoring functions for protein-ligand interactions

1 reference

12 December 2020

The Protein Data Bank

1 reference

12 December 2020

Calculation of protein-ligand binding affinities.

1 reference

12 December 2020

Distributed automated docking of flexible ligands to proteins: Parallel applications of AutoDock 2.4

1 reference

12 December 2020

Virtual screening strategies in drug discovery

1 reference

12 December 2020

Implications of protein flexibility for drug discovery

1 reference

12 December 2020

Classical molecular interaction potentials: improved setup procedure in molecular dynamics simulations of proteins.

1 reference

12 December 2020

Distance and exposure dependent effective dielectric function

1 reference

12 December 2020

Development and validation of a genetic algorithm for flexible docking

1 reference

12 December 2020

Automated docking of flexible ligands: applications of AutoDock

1 reference

12 December 2020

Application of SCAP to drug design. 1. Prediction of octanol-water partition coefficients using solvent-dependent conformational analyses

1 reference

12 December 2020

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors

1 reference

12 December 2020

Theoretical study of interaction of winter flounder antifreeze protein with ice

1 reference

12 December 2020

A critical assessment of docking programs and scoring functions

1 reference

12 December 2020

Effective energy function for proteins in solution

1 reference

12 December 2020

Electrostatic effects in proteins: comparison of dielectric and charge models

1 reference

12 December 2020

Flexible ligand docking: a multistep strategy approach

1 reference

12 December 2020

Sodium channels: ionic model of slow inactivation and state-dependent drug binding

1 reference

12 December 2020

Prediction of ligand-receptor binding thermodynamics by free energy force field three-dimensional quantitative structure-activity relationship analysis: applications to a set of glucose analogue inhibitors of glycogen phosphorylase

1 reference

12 December 2020

Flexible protein-ligand docking by global energy optimization in internal coordinates.

1 reference

12 December 2020

Monte Carlo-energy minimization of correolide in the Kv1.3 channel: possible role of potassium ion in ligand-receptor interactions

1 reference

12 December 2020

Classical electrostatics in biology and chemistry

1 reference

12 December 2020

Liquid-structure forces and electrostatic modulation of biomolecular interactions in solution

1 reference

12 December 2020

Mapping of steroids binding to 17 beta-hydroxysteroid dehydrogenase type 1 using Monte Carlo energy minimization reveals alternative binding modes

1 reference

12 December 2020

A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance

1 reference

12 December 2020

Biomolecular electrostatics with the linearized Poisson-Boltzmann equation

1 reference

12 December 2020

Evaluation of the influence of the internal aqueous solvent structure on electrostatic interactions at the protein-solvent interface by nonlocal continuum electrostatic approach

1 reference

12 December 2020

Molecular modeling of benzothiazepine binding in the L-type calcium channel

1 reference

12 December 2020

Picosecond dynamics of tyrosine side chains in proteins

1 reference

12 December 2020

ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility.

1 reference

12 December 2020

Structure-based identification of binding sites, native ligands and potential inhibitors for G-protein coupled receptors.

1 reference

12 December 2020

A fast flexible docking method using an incremental construction algorithm.

1 reference

12 December 2020

PDBsum: a Web-based database of summaries and analyses of all PDB structures

1 reference

12 December 2020

Interfacial water dielectric-permittivity-profile measurements using atomic force microscopy

1 reference

12 December 2020

Theory of electrostatic interactions in macromolecules.

1 reference

12 December 2020

Protein flexibility in ligand docking and virtual screening to protein kinases.

1 reference

12 December 2020

DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

1 reference

12 December 2020

Monte Carlo-minimization approach to the multiple-minima problem in protein folding

1 reference

12 December 2020

Structural model for phenylalkylamine binding to L-type calcium channels

1 reference

12 December 2020

10.1007/S10822-009-9317-9

Identifiers

DOI

1 reference

27 July 2017

journals/jcamd/GardenZ10

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

PubMed ID

20119653