Article-Journal

Well-Balanced Force Field ff03CMAP for Folded and Disordered Proteins
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An efficient second‐order poisson–boltzmann method
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Computational structural enzymology methodologies for the study and engineering of fatty acid synthases, polyketide synthases and nonribosomal peptide synthetases
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Dynamical important residue network (DIRN): network inference via conformational change
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Elucidation of WW domain ligand binding specificities in the Hippo pathway reveals STXBP4 as YAP inhibitor
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Extensive tests and evaluation of the CHARMM36IDPSFF force field for intrinsically disordered proteins and folded proteins
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Heterogeneous Dielectric Implicit Membrane Model for the Calculation of MMPBSA Binding Free Energies
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Improved Poisson–Boltzmann Methods for High-Performance Computing
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Molecular basis for interactions between an acyl carrier protein and a ketosynthase
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Polarizable Gaussian Multipole Framework for Electrostatic Interactions in Biomolecules
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