Wei Jiang
0000-0001-7707-6247
6 papers found
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Ligand-Binding-Site Refinement to Generate Reliable Holo Protein Structure Conformations from Apo Structures
Scalable molecular dynamics on CPU and GPU architectures with NAMD
String Method for Protein–Protein Binding Free-Energy Calculations
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD
Accelerating Convergence of Free Energy Computations with Hamiltonian Simulated Annealing of Solvent (HSAS)
Reduced Free Energy Perturbation/Hamiltonian Replica Exchange Molecular Dynamics Method with Unbiased Alchemical Thermodynamic Axis
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