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Protein interactions

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

Interaction of insecticidal proteins from Pseudomonas spp. and Bacillus thuringiensis for boll weevil management

Jardel Diego Barbosa Rodrigues, Raquel Oliveira Moreira, Jackson Antônio Marcondes de Souza, Janete Apparecida Desidério

Role of the redox state of the Pirin-bound cofactor on interaction with the master regulators of inflammation and other pathways

Tamim Ahsan, Sabrina Samad Shoily, Tasnim Ahmed, Abu Ashfaqur Sajib

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

Designing peptides predicted to bind to the omicron variant better than ACE2 via computational protein design and molecular dynamics

Thassanai Sitthiyotha, Wantanee Treewattanawong, Surasak Chunsrivirot

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