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Journal of Chemical Theory and Computation|December 2, 2015
Evaluation of Salt Bridge Structure and Energetics in Peptides Using Explicit, Implicit, and Hybrid Solvation ModelsAsim Okur, Lauren Wickstrom, Carlos SimmerlingBiophysical Journal|August 5, 2009
Evaluating the performance of the ff99SB force field based on NMR scalar coupling dataLauren Wickstrom, Asim Okur, Carlos SimmerlingProteins|November 1, 2011
The linear interaction energy method for the prediction of protein stability changes upon mutationLauren Wickstrom, Emilio Gallicchio, Ronald M LevyJournal of Chemical Theory and Computation|August 23, 2014
Large scale affinity calculations of cyclodextrin host-guest complexes: Understanding the role of reorganization in the molecular recognition processLauren Wickstrom, Peng He, Emilio Gallicchio, et al.Physical Chemistry Chemical Physics : PCCP|February 25, 2022
Developing end-point methods for absolute binding free energy calculation using the Boltzmann-quasiharmonic modelLauren Wickstrom, Emilio Gallicchio, Lieyang Chen, et al.Journal of Molecular Graphics & Modelling|December 21, 2010
Improving the description of salt bridge strength and geometry in a Generalized Born modelYi Shang, Hai Nguyen, Lauren Wickstrom, et al.The Journal of Physical Chemistry. B|November 1, 2017
Resolving the Ligand-Binding Specificity in c-MYC G-Quadruplex DNA: Absolute Binding Free Energy Calculations and SPR ExperimentNanjie Deng, Lauren Wickstrom, Piotr Cieplak, et al.The Journal of Physical Chemistry. B|September 12, 2019
Role of Displacing Confined Solvent in the Conformational Equilibrium of β-CyclodextrinPeng He, Sheila Sarkar, Emilio Gallicchio, et al.Journal of Chemical Theory and Computation|February 27, 2020
Combining Alchemical Transformation with a Physical Pathway to Accelerate Absolute Binding Free Energy Calculations of Charged Ligands to Enclosed Binding SitesJeffrey Cruz, Lauren Wickstrom, Danzhou Yang, et al.The Journal of Physical Chemistry. B|May 13, 2016
Enthalpic Breakdown of Water Structure on Protein Active-Site SurfacesKamran Haider, Lauren Wickstrom, Steven Ramsey, et al.Pageof 3