Molecular simulation of nonfacilitated membrane permeation von Awoonor-Williams, Ernest, Rowley, Christopher N.

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Benchmarking Quantum Chemical Methods for the Calculation of Molecular Dipole Moments and Polarizabilities von Hickey, A. Leif, Rowley, Christopher N.

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Suzuki–Miyaura Coupling of (Hetero)Aryl Sulfones: Complementary Reactivity Enables Iterative Polyaryl Synthesis von Chatelain, Paul, Sau, Abhijit, Rowley, Christopher N., Moran, Joseph

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How Reactive are Druggable Cysteines in Protein Kinases? von Awoonor-Williams, Ernest, Rowley, Christopher N

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The Solvation Structure of Na+ and K+ in Liquid Water Determined from High Level ab Initio Molecular Dynamics Simulations von Rowley, Christopher N, Roux, Benoı̂t

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The CHARMM-TURBOMOLE interface for efficient and accurate QM/MM molecular dynamics, free energies, and excited state properties von Riahi, Saleh, Rowley, Christopher N.

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Catalytic Intermolecular Direct Arylation of Perfluorobenzenes von Lafrance, Marc, Rowley, Christopher N, Woo, Tom K, Fagnou, Keith

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Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds von Lee, Christopher T, Comer, Jeffrey, Herndon, Conner, Leung, Nelson, Pavlova, Anna, Swift, Robert V, Tung, Chris, Rowley, Christopher N, Amaro, Rommie E, Chipot, Christophe, Wang, Yi, Gumbart, James C

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Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model von Mohebifar, Mohamad, Johnson, Erin R, Rowley, Christopher N

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Ring-opening hydroarylation of monosubstituted cyclopropanes enabled by hexafluoroisopropanol von Richmond, Edward, Yi, Jing, Vuković, Vuk D, Sajadi, Fatima, Rowley, Christopher N, Moran, Joseph

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Evaluation of Methods for the Calculation of the pKa of Cysteine Residues in Proteins von Awoonor-Williams, Ernest, Rowley, Christopher N

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Evaluating the London Dispersion Coefficients of Protein Force Fields Using the Exchange-Hole Dipole Moment Model von Walters, Evan T, Mohebifar, Mohamad, Johnson, Erin R, Rowley, Christopher N

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Simulations of lipid bilayers using the CHARMM36 force field with the TIP3P-FB and TIP4P-FB water models von Sajadi, Fatima, Rowley, Christopher N

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Addressing Challenges in Delivering Sustainable Rural Water Provision Using Solar Water Pumping in Malawi: A Stakeholder Analysis von Phiri, Esther, Rowley, Paul N., Blanchard, Richard E.

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Unlocking the Friedel-Crafts arylation of primary aliphatic alcohols and epoxides driven by hexafluoroisopropanol von Zhang, Shaofei, Vayer, Marie, Noël, Florent, Vuković, Vuk D., Golushko, Andrei, Rezajooei, Nazanin, Rowley, Christopher N., Lebœuf, David, Moran, Joseph

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Brain expression genome-wide association study (eGWAS) identifies human disease-associated variants von Zou, Fanggeng, Chai, High Seng, Younkin, Curtis S, Allen, Mariet, Crook, Julia, Pankratz, V Shane, Carrasquillo, Minerva M, Rowley, Christopher N, Nair, Asha A, Middha, Sumit, Maharjan, Sooraj, Nguyen, Thuy, Ma, Li, Malphrus, Kimberly G, Palusak, Ryan, Lincoln, Sarah, Bisceglio, Gina, Georgescu, Constantin, Kouri, Naomi, Kolbert, Christopher P, Jen, Jin, Haines, Jonathan L, Mayeux, Richard, Pericak-Vance, Margaret A, Farrer, Lindsay A, Schellenberg, Gerard D, Petersen, Ronald C, Graff-Radford, Neill R, Dickson, Dennis W, Younkin, Steven G, Ertekin-Taner, Nilüfer

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A techno-economic analysis of small-scale, biomass-fuelled combined heat and power for community housing von Wood, S.R., Rowley, P.N.

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Evaluation of Methods for the Calculation of the pK a of Cysteine Residues in Proteins von Awoonor-Williams, Ernest, Rowley, Christopher N

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Modeling the Binding and Conformational Energetics of a Targeted Covalent Inhibitor to Bruton’s Tyrosine Kinase von Awoonor-Williams, Ernest, Rowley, Christopher N

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Combined Experimental and Computational Studies on the Physical and Chemical Properties of the Renewable Amide, 3-Acetamido-5-acetylfuran von Liu, Yi, Rowley, Christopher N., Kerton, Francesca M.

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