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Biophysical simulations

Comparison of double chevron-cut and biplanar distal femoral osteotomy techniques: A biomechanical study

Kuan-Jung Chen, Wei Hsiung, [ ... ], Jesse Chieh-Szu Yang

Targeting Sirtuin 1 for therapeutic potential: Drug repurposing approach integrating docking and molecular dynamics simulations

Mohammed Alrouji, Fahad A. Alhumaydhi, [ ... ], Anas Shamsi

Interaction of biomolecules with anatase, rutile and amorphous TiO₂ surfaces: A molecular dynamics study

Tamás Tarjányi, Ferenc Bogár, [ ... ], Zsolt Tóth

Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS

Vidya Niranjan, Purushotham Rao, Akshay Uttarkar, Jitendra Kumar

Does joint impedance improve dynamic leg simulations with explicit and implicit solvers?

Serhii Bahdasariants, Ana Maria Forti Barela, [ ... ], Sergiy Yakovenko

Computer simulation approach to the identification of visfatin-derived angiogenic peptides

Ji Myung Choi, Srimai Vuppala, [ ... ], Bo Sun Joo

Across atoms to crossing continents: Application of similarity measures to biological location data

Fabian Schuhmann, Leonie Ryvkin, [ ... ], Ilia A. Solov’yov

Morphoscanner2.0: A new python module for analysis of molecular dynamics simulations

Federico Fontana, Calogero Carlino, Ashish Malik, Fabrizio Gelain

DagSim: Combining DAG-based model structure with unconstrained data types and relations for flexible, transparent, and modularized data simulation

Ghadi S. Al Hajj, Johan Pensar, Geir K. Sandve

Deciphering the relational dynamics of AF-2 domain of PAN PPAR through drug repurposing and comparative simulations

Fouzia Gul, Nousheen Parvaiz, Syed Sikander Azam

Understanding the self-assembly dynamics of A/T absent ‘four-way DNA junctions with sticky ends’ at altered physiological conditions through molecular dynamics simulations

Akanksha Singh, Ramesh Kumar Yadav, [ ... ], Umesh Yadava

Computational study of the structural ensemble of CC chemokine receptor type 5 (CCR5) and its interactions with different ligands

Guillermo Goode-Romero, Laura Dominguez

Molecular dynamics study on the effects of charged amino acid distribution under low pH condition to the unfolding of hen egg white lysozyme and formation of beta strands

Husnul Fuad Zein, Ibrar Alam, Piyapong Asanithi, Thana Sutthibutpong

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