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Molecular Docking Simulation Based on CPU-GPU Heterogeneous Computing
2017Receptor-ligand molecular docking aims to predict possible drug candidates for many diseases, and it requires a lot of computing cost. Shortening this time- consumption process will help pharmaceutical scientist to speed up drug development. In this paper, a parallel molecular docking simulation based on CPU-GPU heterogeneous computing is proposed ...
Jinyan Xu, Jianhua Li, Yining Cai
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Designing Optimum Protein-Excipient Interactions using Molecular Docking Simulations
2014Abstract As the market for protein drugs is constantly increasing, methods to ensure the stability of the final drug formulation are needed. The choice of excipient in the protein drug formulation can lower the probability of protein aggregation through interactions between the excipient and aggregation prone regions (hot spots) on the protein. The
Haider S. Tarar +2 more
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Progress in Molecular Docking and Molecular Dynamics Simulation
Journal of Comparative Chemistry, 2019openaire +1 more source
Molecular docking and dynamics simulations of novel drug targets
2021Jangampalli Adi Pradeepkiran +4 more
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