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Binding analysis

Binding selectivity analysis of AURKs inhibitors through molecular dynamics simulation studies

Rima D. Alharthy, Ghulam Fatima, [ ... ], Muhammad Muddassar

cAmbly: A non-toxic cell-penetrating peptide derived from Amblyomin-X with targeted delivery to mitochondrial and cytoplasmic proteins

Marcus Vinicius Buri, Graciana Yokota Garavelli, [ ... ], Ana Marisa Chudzinski-Tavassi

Insilico exploration C. koseri ATP synthase inhibitors by pharmacophore-based virtual screening, molecular docking and MD simulation

Abdullah R. Alanzi, Alanazi A. Z., Khalid Alhazzani

Positive charges promote the recognition of proteins by the chaperone SlyD from Escherichia coli

Daniel Lindemeier, Wenke Graubner, [ ... ], Thomas Brüser

Role of ruscogenin extracted from Radix Ophiopogon Japonicus in antagonizing 5-hydroxytryptamine and dopamine receptors through computational screening

Suya Ma, Yongmei Liu

Phosphoproteomic profiling of feline mammary carcinoma: Insights into tumor grading and potential therapeutic targets

Pruettha Aruvornlop, Sekkarin Ploypetch, [ ... ], Nlin Arya

ABC transporters knockout in Aedes aegypti induces upregulation of paralogous genes, avoiding resistance development to Bacillus thuringiensis Cry toxins

Sabino Pacheco, Marcos Chiñas, [ ... ], Alejandra Bravo

Insilico targeting of virus entry facilitator NRP1 to block SARS-CoV2 entry

Nousheen Bibi, Maleeha Shah, [ ... ], Mohammad Amjad Kamal

Prediction of immunogenicity of Rh antigens using in silico analysis of binding to human leukocyte antigen peptide, Basic/Translational Research

Hee-Jeong Youk, Yong-Joon Cho, [ ... ], Dae-Hyun Ko

Integrated in silico identification of cholinesterase inhibitors from Nyctanthes arbor-tristis

Qazi Mohammad Sajid Jamal, Ali H. Alharbi, Varish Ahmad, Khurshid Ahmad

Multiscale computational evaluation of Vitex trifolia phytochemicals as VEGFR2 inhibitors for targeted breast cancer therapy

Arooj Fatima, Muhammad Umer Khan, [ ... ], Muhammad Ikram Ullah

Exploring β-catenin and TCF4 interaction in complex environments by means of novel biosensing platform focal molography

Philipp Cedro, Roman Popov, [ ... ], Sylwia Huber

Structure-based identification of bioactive compounds as trace amine-associated receptor 1 agonists for the therapeutic management of major depressive disorder

Abdelbaset Mohamed Elasbali, Ahmed S. Ali, [ ... ], Md. Imtaiyaz Hassan

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