Article-Journal

PyRESP: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields
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Stress tensor and constant pressure simulation for polarizable Gaussian multipole model
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The Hippo pathway kinases LATS1 and LATS2 attenuate cellular responses to heavy metals through phosphorylating MTF1
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Development of a Pantetheine Force Field Library for Molecular Modeling
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Estimating the Roles of Protonation and Electronic Polarization in Absolute Binding Affinity Simulations
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Growth-Based, High-Throughput Selection for NADH Preference in an Oxygen-Dependent Biocatalyst
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Machine-Learned Molecular Surface and Its Application to Implicit Solvent Simulations
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Recent Developments in Free Energy Calculations for Drug Discovery
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Recent force field strategies for intrinsically disordered proteins
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A 2,3-dialkoxynaphthalene-based naphthocage
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