Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screening
about
Computational methods in drug discovery.Macromolecular target prediction by self-organizing feature maps.Correcting the impact of docking pose generation error on binding affinity prediction.Drug repurposing for aging research using model organisms.Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes.Performance of machine-learning scoring functions in structure-based virtual screening.A protocol for CABS-dock protein-peptide docking driven by side-chain contact information.Virtual screening approach to identifying influenza virus neuraminidase inhibitors using molecular docking combined with machine-learning-based scoring function.HIGA: A Running History Information Guided Genetic Algorithm for Protein-Ligand Docking.Tailored Approaches in Drug Development and Diagnostics: From Molecular Design to Biological Model Systems.Effects of protein-protein interactions and ligand binding on the ion permeation in KCNQ1 potassium channel.Designing the Sniper: Improving Targeted Human Cytolytic Fusion Proteins for Anti-Cancer Therapy via Molecular Simulation.De novo Drug Design - Ye olde Scoring Problem Revisited.Recent advances in automated protein design and its future challenges.An Efficient ABC_DE_Based Hybrid Algorithm for Protein-Ligand Docking.The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction.Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking.Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
P2860
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P2860
Machine-learning scoring functions to improve structure-based binding affinity prediction and virtual screening
description
2015 nî lūn-bûn
@nan
2015 թուականին հրատարակուած գիտական յօդուած
@hyw
2015 թվականին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
Machine-learning scoring funct ...... ediction and virtual screening
@ast
Machine-learning scoring funct ...... ediction and virtual screening
@en
Machine-learning scoring funct ...... ediction and virtual screening
@nl
type
label
Machine-learning scoring funct ...... ediction and virtual screening
@ast
Machine-learning scoring funct ...... ediction and virtual screening
@en
Machine-learning scoring funct ...... ediction and virtual screening
@nl
prefLabel
Machine-learning scoring funct ...... ediction and virtual screening
@ast
Machine-learning scoring funct ...... ediction and virtual screening
@en
Machine-learning scoring funct ...... ediction and virtual screening
@nl
P2860
P3181
P356
P1476
Machine-learning scoring funct ...... ediction and virtual screening
@en
P2093
Florian D Roessler
Qurrat Ul Ain
P2860
P304
P3181
P356
10.1002/WCMS.1225
P407
P577
2015-08-28T00:00:00Z