Search

Categories

Biological and Medicinal Chemistry

(4)

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(5)

Content Types

Working Paper

(5)

Published Date

Last 3 years

(5)

Last 12 months

(3)

Last 6 months

(2)

Last 3 months

(2)

Keywords

Protein-ligand interaction

Authors

5 results in Keywords: Protein-ligand interaction

Physical Chemistry

Effects of enzyme-ligand interactions on the photoisomerization of a light-regulated chemotherapeutic drug

Ruibin Liang, Amirhossein Bakhtiiari

Version 1 posted 25 January 2022

213

Downloads

Biological and Medicinal Chemistry

Quantum-based modeling of protein-ligand interaction: The complex of RutA with uracil and molecular oxygen

Igor Polyakov, Alexander Nemukhin, Tatiana Domratcheva, Anna Kulakova, Bella Grigorenko

Version 1 posted 22 July 2022

121

Downloads

Theoretical and Computational Chemistry

A Physics-Aware Neural Network for Protein-Ligand Interactions with Quantum Chemical Accuracy

Zachary Glick, Derek Metcalf, Caroline Sargent, Steven Spronk, Alexios Koutsoukas, Daniel Cheney, C. David Sherrill

Version 1 posted 16 February 2024

540

Downloads

1

Citations

Theoretical and Computational Chemistry

A Protein-Ligand Interaction-focused 3D Molecular Generative Framework for Generalizable Structure-based Drug Design

Wonho Zhung, Hyeongwoo Kim, Woo Youn Kim

Version 1 posted 13 June 2023

871

Downloads

Biological and Medicinal Chemistry

Using Interaction Fingerprints as a Strategy of Protein-Ligand Interaction Patterns Recognition and Post-Docking Analysis

Andrelly Martins-José, Julio CD LOPES

Version 1 posted 12 April 2024

90

Downloads