[HTML][HTML] ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions
… Virtual screening (VS) based on molecular docking has … , the scoring functions (SFs)
implemented in most docking … web server for the development of customized SFs for …
implemented in most docking … web server for the development of customized SFs for …
[HTML][HTML] DockingApp RF: a state-of-the-art novel scoring function for molecular docking in a user-friendly interface to AutoDock Vina
G Macari, D Toti, A Pasquadibisceglie… - International Journal of …, 2020 - mdpi.com
… In this work, a customized version of the chemical representation of DOCK’s atom types
was used, considering the good results reported in [41,42] using this representation. An …
was used, considering the good results reported in [41,42] using this representation. An …
Can docking scoring functions guarantee success in virtual screening?
Y Velasquez-López, E Tejera… - Annual Reports in …, 2022 - Elsevier
… In this chapter, we review the current status of docking scoring functions. The … and scoring
functions. Next, we review the principal types of scoring functions used in molecular docking …
functions. Next, we review the principal types of scoring functions used in molecular docking …
ASFP (AI-based Scoring Function Platform): a web server for the development of customized scoring functions
X Zhang, C Shen, Z Wang, G Weng, Q Ye, G Wang… - 2020 - researchsquare.com
… Virtual screening (VS) based on molecular docking has … , the scoring functions (SFs)
implemented in most docking … web server for the development of customized SFs for …
implemented in most docking … web server for the development of customized SFs for …
[HTML][HTML] EasyDock: customizable and scalable docking tool
G Minibaeva, A Ivanova, P Polishchuk - Journal of Cheminformatics, 2023 - Springer
… main docking function which takes other docking settings as additional input parameters.
Rounded rectangles designate customizable functions to introduce a custom docking program …
Rounded rectangles designate customizable functions to introduce a custom docking program …
Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions
… focusing on the development of AI-based scoring functions for protein-ligand docking. …
He mainly engaged in the development of customized scoring functions based on artificial …
He mainly engaged in the development of customized scoring functions based on artificial …
Advancing Antibody-antigen Interface Analysis in Docking Scoring Functions for Precision Docking Analysis
S Ratnayake, A Martinelli, T Endo… - IPSJ Transactions on …, 2024 - jstage.jst.go.jp
… , necessitating the customization of the scoring function to … docking, to optimize the
parameters of its scoring function. … a novel approach to customizing scoring functions, potentially …
parameters of its scoring function. … a novel approach to customizing scoring functions, potentially …
[HTML][HTML] Protein–ligand docking in the machine-learning era
… ligand scoring function. In this review, we give a broad overview of recent scoring function
development, as well as the docking-… Recently, customized protein–ligand interaction features …
development, as well as the docking-… Recently, customized protein–ligand interaction features …
[HTML][HTML] Implementing a scoring function based on interaction fingerprint for Autogrow4: protein kinase CK1δ as a case study
… customize the scoring stage of the docking process. The traditional Autogrow protocol uses
the Vina standard scoring function … others of a typical empiric scoring function (Eberhardt et al.…
the Vina standard scoring function … others of a typical empiric scoring function (Eberhardt et al.…
Dockground scoring benchmarks for protein docking
I Kotthoff, PJ Kundrotas… - … : Structure, Function, and …, 2022 - Wiley Online Library
… Protein docking protocols typically involve global docking scan… predictions by more accurate
scoring functions that are either … of scoring methodologies are often performed on scoring …
scoring functions that are either … of scoring methodologies are often performed on scoring …
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