Article-Journal

Crystal Structure of StnA for the Biosynthesis of Antitumor Drug Streptonigrin Reveals a Unique Substrate Binding Mode
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Exploring a multi-scale method for molecular simulation in continuum solvent model: Explicit simulation of continuum solvent as an incompressible fluid
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Numerical interpretation of molecular surface field in dielectric modeling of solvation
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<i>ff14IDPs</i> force field improving the conformation sampling of intrinsically disordered proteins
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Allosteric pathways in tetrahydrofolate sensing riboswitch with dynamics correlation network
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Calculating protein–ligand binding affinities with MMPBSA: Method and error analysis
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Charge Central Interpretation of the Full Nonlinear PB Equation: Implications for Accurate and Scalable Modeling of Solvation Interactions
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Dynamics Correlation Network for Allosteric Switching of PreQ1 Riboswitch
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Synergistic Modification Induced Specific Recognition between Histone and TRIM24 via Fluctuation Correlation Network Analysis
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A semi-implicit augmented IIM for Navier–Stokes equations with open, traction, or free boundary conditions
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