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Biochemical simulations

Molecular Dynamics Simulations Reveal the HIV-1 Vpu Transmembrane Protein to Form Stable Pentamers

Siladitya Padhi, Nabab Khan, Shahid Jameel, U. Deva Priyakumar

Effect of Self-Assembly of Fullerene Nano-Particles on Lipid Membrane

Saiqun Zhang, Yuguang Mu, John Z. H. Zhang, Weixin Xu

New Insight to Structure-Function Relationship of GalNAc Mediated Primary Interaction between Insecticidal Cry1Ac Toxin and HaALP Receptor of Helicoverpa armigera

Anindita Sengupta, Anindya Sarkar, [ ... ], Sampa Das

Conformational Response to Solvent Interaction and Temperature of a Protein (Histone h3.1) by a Multi-Grained Monte Carlo Simulation

Ras B. Pandey, Barry L. Farmer

Molecular Dynamic Simulation Reveals Damaging Impact of RAC1 F28L Mutation in the Switch I Region

Ambuj Kumar, Vidya Rajendran, Rao Sethumadhavan, Rituraj Purohit

Mathematical Modeling of the Role of Mitochondrial Fusion and Fission in Mitochondrial DNA Maintenance

Zhi Yang Tam, Jan Gruber, Barry Halliwell, Rudiyanto Gunawan

Molecular Dynamics Simulations of DNA-Free and DNA-Bound TAL Effectors

Hua Wan, Jian-ping Hu, [ ... ], Shan Chang

Dynamics of Bcl-xL in Water and Membrane: Molecular Simulations

Atanu Maity, Seema Yadav, Chandra S. Verma, Shubhra Ghosh Dastidar

Coval: Improving Alignment Quality and Variant Calling Accuracy for Next-Generation Sequencing Data

Shunichi Kosugi, Satoshi Natsume, [ ... ], Ryohei Terauchi

Sulfamethoxazole Induces a Switch Mechanism in T Cell Receptors Containing TCRVβ20-1, Altering pHLA Recognition

Stephan Watkins, Werner J. Pichler

Molecular Dynamics Simulations of Double-Stranded DNA in an Explicit Solvent Model with the Zero-Dipole Summation Method

Takamasa Arakawa, Narutoshi Kamiya, Haruki Nakamura, Ikuo Fukuda

Structure and Stability Insights into Tumour Suppressor p53 Evolutionary Related Proteins

Bruno Pagano, Abdullah Jama, [ ... ], Penka V. Nikolova

Comparative Molecular Docking Analysis of Cytoplasmic Dynein Light Chain DYNLL1 with Pilin to Explore the Molecular Mechanism of Pathogenesis Caused by Pseudomonas aeruginosa PAO

Samina Kausar, Muhammad Asif, Nousheen Bibi, Sajid Rashid

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