[HTML][HTML] ASFP (Artificial Intelligence based Scoring Function Platform): a web server for the development of customized scoring functions

X Zhang, C Shen, X Guo, Z Wang, G Weng… - Journal of …, 2021 - Springer
… 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 …

[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 …

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

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 …

[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 …

Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions

C Shen, Y Hu, Z Wang, X Zhang, H Zhong… - Briefings in …, 2021 - academic.oup.com
… 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 …

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 …

[HTML][HTML] Protein–ligand docking in the machine-learning era

C Yang, EA Chen, Y Zhang - Molecules, 2022 - mdpi.com
… 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 …

[HTML][HTML] Implementing a scoring function based on interaction fingerprint for Autogrow4: protein kinase CK1δ as a case study

M Pavan, S Menin, D Bassani, M Sturlese… - Frontiers in Molecular …, 2022 - frontiersin.org
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.…

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