Lv4
500 积分 2024-08-01 加入
Discovery of Natural MCL1 Inhibitors using Pharmacophore modelling, QSAR, Docking, ADMET, Molecular Dynamics, and DFT Analysis
8天前
已完结
Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors
14天前
已完结
A Multi-Angle Approach to Predict Peptide-GPCR Complexes: The N/OFQ-NOP System as a Successful AlphaFold Application Case Study
14天前
已完结
A New Advanced Approach: Design and Screening of Affinity Peptide Ligands Using Computer Simulation Techniques
27天前
已完结
Structural Understanding of Peptide-Bound G Protein-Coupled Receptors: Peptide–Target Interactions
1个月前
已完结
Ligand Gaussian Accelerated Molecular Dynamics 3 (LiGaMD3): Improved Calculations of Binding Thermodynamics and Kinetics of Both Small Molecules and Flexible Peptides
1个月前
已完结
PISAD: De Novo Peptide Design for Target Protein with Iterative Stochastic Searching Algorithm and Docking Assessment
1个月前
已完结
A Knowledge-Based Energy Function for Protein−Ligand, Protein−Protein, and Protein−DNA Complexes
1个月前
已完结
Balanced Three-Point Water Model OPC3-B for Intrinsically Disordered and Ordered Proteins
2个月前
已完结
Well-Balanced Force Field ff03CMAP for Folded and Disordered Proteins
2个月前
已关闭
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