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Protein interactions

An in silico procedure for generating protein-mediated chromatin interaction data and comparison of significant interaction calling methods

Shuyuan Lou, Shili Lin

In-silico evaluation of natural alkaloids against the main protease and spike glycoprotein as potential therapeutic agents for SARS-CoV-2

Mohibullah Shah, Ramsha Yamin, [ ... ], Ke Chen

Heterogenous circulating miRNA changes in ME/CFS converge on a unified cluster of target genes: A computational analysis

Mateusz Piotr Kaczmarek

Antibiofilm and anti-quorum sensing activity of Psidium guajava L. leaf extract: In vitro and in silico approach

Mo Ahamad Khan, Ismail Celik, [ ... ], Bilal Ahmed

Delineating Pixantrone Maleate’s adroit activity against cervical cancer proteins through multitargeted docking-based MM\GBSA, QM-DFT and MD simulation

Hassan Hussain Almasoudi, Mohammed H. Nahari, [ ... ], Mohammed Ageeli Hakami

AAAKB: A manually curated database for tracking and predicting genes of Abdominal aortic aneurysm (AAA)

Di Yao, Shuyuan Mei, [ ... ], Zhiguang Shi

In-silico selection of peptides for the recognition of imidacloprid

Sarah Aldulaijan

An engineered thermally tolerant apo-cytochrome scaffold for metal-less incorporation of heme derivative

Sami Ben Aoun, Sheikh Muhammad Ibrahim

Synergistic inhibition of glioblastoma multiforme through an in-silico analysis of luteolin and ferulic acid derived from Angelica sinensis and Cannabis sativa: Advancements in computational therapeutics

Mohd Suhail, Mohammad Tarique, [ ... ], Mohd Rehan

In Silico identification of novel phytochemicals that target SFRP4: An early biomarker of diabesity

Asim Rehman, Shazia Anwer Bukhari, [ ... ], Zunera Chauhdary

Identification of natural antiviral drug candidates against Tilapia Lake Virus: Computational drug design approaches

Md Afsar Ahmed Sumon, Amer H. Asseri, [ ... ], Christopher L. Brown

Computational design of novel nanobodies targeting the receptor binding domain of variants of concern of SARS-CoV-2

Phoomintara Longsompurana, Thanyada Rungrotmongkol, [ ... ], Rungtiva P. Poo-arporn

A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives

Shopnil Akash, Farjana Islam Aovi, [ ... ], Rohit Sharma

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