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4 articles related to "Protein Binding Site"

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Articles

Original Research

Published on 17 Dec 2020

RASPD+: Fast Protein-Ligand Binding Free Energy Prediction Using Simplified Physicochemical Features

in Biological Modeling and Simulation

Stefan Holderbach
Lukas Adam
B. Jayaram
Rebecca C. Wade
Goutam Mukherjee

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2020.601065

13,290 views
36 citations

Original Research

Published on 19 Oct 2022

Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods

in Theoretical and Computational Chemistry

Susanne Sauer
Hans Matter
Gerhard Hessler
Christoph Grebner

Frontiers in Chemistry

doi 10.3389/fchem.2022.1012507

7,619 views
12 citations

Original Research

Published on 28 Jun 2019

Putative Auxin and Light Responsive Promoter Elements From the Tomato spotted wilt tospovirus Genome, When Expressed as cDNA, Are Functional in Arabidopsis

in Virology

Ying Zhai
Hao Peng
Michael M. Neff
Hanu R. Pappu

Frontiers in Plant Science

doi 10.3389/fpls.2019.00804

6,200 views
11 citations

Original Research

Published on 24 Mar 2025

Chemoinformatics analysis of Mangifera indica leaves extracted phytochemicals as potential EGFR kinase modulators

in Medicinal and Pharmaceutical Chemistry

Md. Abdullah Al Mashud
Ajoy Kumer
Ismat Jahan
Md. Mehedi Hasan Somrat
Md. Enamul Kabir Talukder
Md. Mashiar Rahman
A. F. M. Shahab Uddin
Md. Harun-Or-Rashid
Md. Mizanur Rahman
Mohammad Harun-Ur-Rashid

Frontiers in Chemistry

doi 10.3389/fchem.2025.1524384

3,398 views