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Biochemical simulations

Optimizing the Design of Oligonucleotides for Homology Directed Gene Targeting

Judith Miné-Hattab, Geneviève Fleury, [ ... ], Jean-Louis Viovy

The Regulatory Subunit of PKA-I Remains Partially Structured and Undergoes β-Aggregation upon Thermal Denaturation

Khanh K. Dao, Angel L. Pey, [ ... ], Aurora Martinez

The Dynamics of Ca²⁺ Ions within the Solvation Shell of Calbindin D9k

Elad Project, Esther Nachliel, Menachem Gutman

Role of Cell-to-Cell Variability in Activating a Positive Feedback Antiviral Response in Human Dendritic Cells

Jianzhong Hu, German Nudelman, [ ... ], Stuart C. Sealfon

Discovering Conformational Sub-States Relevant to Protein Function

Arvind Ramanathan, Andrej J. Savol, [ ... ], Chakra S. Chennubhotla

The Substrate-Driven Transition to an Inward-Facing Conformation in the Functional Mechanism of the Dopamine Transporter

Jufang Shan, Jonathan A. Javitch, Lei Shi, Harel Weinstein

Optimal Homogenization of Perfusion Flows in Microfluidic Bio-Reactors: A Numerical Study

Fridolin Okkels, Martin Dufva, Henrik Bruus

Structure-Function Relationship of Cytoplasmic and Nuclear IκB Proteins: An In Silico Analysis

Balachandran Manavalan, Shaherin Basith, [ ... ], Sangdun Choi

Cholera Toxin B Subunits Assemble into Pentamers - Proposition of a Fly-Casting Mechanism

Jihad Zrimi, Alicia Ng Ling, [ ... ], Claire Lesieur

Minimal Gene Regulatory Circuits for a Lysis-Lysogeny Choice in the Presence of Noise

Mikkel Avlund, Sandeep Krishna, [ ... ], Kim Sneppen

Molecular Dynamics Simulation Studies of GLUT4: Substrate-Free and Substrate-Induced Dynamics and ATP-Mediated Glucose Transport Inhibition

Suma Mohan, Aswathy Sheena, Ninu Poulose, Gopalakrishnapillai Anilkumar

Emergent Properties of Tumor Microenvironment in a Real-Life Model of Multicell Tumor Spheroids

Edoardo Milotti, Roberto Chignola

Bridging the Gap: Linking Molecular Simulations and Systemic Descriptions of Cellular Compartments

Tihamér Geyer, Xavier Mol, Sarah Blaß, Volkhard Helms

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