Water PMF for predicting the properties of water molecules in protein binding site. (Q30423037)

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16 February 2020

title

Water PMF for predicting the properties of water molecules in protein binding site (English)

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16 February 2020

1

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author name string

Yanlian Li

2

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16 February 2020

Bing Xiong

3

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Hualiang Jiang

4

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Jingkang Shen

5

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publication date

1 November 2012

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Journal of Computational Chemistry

16 February 2020

language of work or name

English

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published in

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volume

34

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issue

7

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page(s)

583-592

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Water structure and interactions with protein surfaces

16 February 2020

cites work

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Water at biomolecular binding interfaces

21 January 2018

1 reference

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Water? What's so special about it?

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Role of the active-site solvent in the thermodynamics of factor Xa ligand binding

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Classification of water molecules in protein binding sites.

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Prediction of the water content in protein binding sites

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Selective ion binding by protein probed with the statistical mechanical integral equation theory.

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A New Approach for Investigating the Molecular Recognition of Protein: Toward Structure-Based Drug Design Based on the 3D-RISM Theory

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Placevent: an algorithm for prediction of explicit solvent atom distribution-application to HIV-1 protease and F-ATP synthase.

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Predicting conserved water-mediated and polar ligand interactions in proteins using a K-nearest-neighbors genetic algorithm.

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WaterScore: a novel method for distinguishing between bound and displaceable water molecules in the crystal structure of the binding site of protein-ligand complexes

21 January 2018

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Robust Classification of “Relevant” Water Molecules in Putative Protein Binding Sites

21 January 2018

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WATGEN: an algorithm for modeling water networks at protein-protein interfaces

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A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes

21 January 2018

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Knowledge-based scoring functions in drug design. 1. Developing a target-specific method for kinase-ligand interactions

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Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability prediction

21 January 2018

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Knowledge-based scoring functions in drug design: 3. A two-dimensional knowledge-based hydrogen-bonding potential for the prediction of protein-ligand interactions

21 January 2018

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PISCES: a protein sequence culling server

21 January 2018

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Knowledge-based scoring function to predict protein-ligand interactions

21 January 2018

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Statistical potential for assessment and prediction of protein structures

21 January 2018

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

21 January 2018

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Small-angle scattering and the structure of ambient liquid water

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Comparative evaluation of 11 scoring functions for molecular docking

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21 January 2018

Identifiers

DOI

10.1002/JCC.23170

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16 February 2020

DBLP publication ID

journals/jcc/ZhengLXJS13

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DBLP Dataset 2021-01-02

28 January 2021

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