Ligand binding to protein-binding pockets with wet and dry regions von Wang, Lingle, Berne, B. J., Friesner, R. A.

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A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments von Murphy, R. B., Philipp, D. M., Friesner, R. A.

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Large-Scale ab Initio Quantum Chemical Calculations on Biological Systems von Friesner, Richard A, Dunietz, Barry D

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Combined fluctuating charge and polarizable dipole models: Application to a five-site water potential function von Stern, Harry A., Rittner, F., Berne, B. J., Friesner, Richard A.

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Aqua, Alcohol, and Acetonitrile Adducts of Tris(perfluorophenyl)borane:  Evaluation of Brønsted Acidity and Ligand Lability with Experimental and Computational Methods von Bergquist, Catherine, Bridgewater, Brian M, Harlan, C. Jeff, Norton, Jack R, Friesner, Richard A, Parkin, Gerard

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How iron-containing proteins control dioxygen chemistry: a detailed atomic level description via accurate quantum chemical and mixed quantum mechanics/molecular mechanics calculati... von Friesner, Richard A., Baik, Mu-Hyun, Gherman, Benjamin F., Guallar, Victor, Wirstam, Maria, Murphy, Robert B., Lippard, Stephen J.

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Activation of the C−H Bond of Methane by Intermediate Q of Methane Monooxygenase:  A Theoretical Study von Gherman, Benjamin F, Dunietz, Barry D, Whittington, Douglas A, Lippard, Stephen J, Friesner, Richard A

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Quantum confinement effects in semiconductor clusters von RAMA KRISHNA, M. V, FRIESNER, R. A

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A comparison of different propagation schemes for the time dependent Schrödinger equation von Leforestier, C, Bisseling, R.H, Cerjan, C, Feit, M.D, Friesner, R, Guldberg, A, Hammerich, A, Jolicard, G, Karrlein, W, Meyer, H.-D, Lipkin, N, Roncero, O, Kosloff, R

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Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach von Cho, Art E., Guallar, Victor, Berne, Bruce J., Friesner, Richard

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Electronic Structure and Luminescence of 1.1- and 1.4-nm Silicon Nanocrystals:  Oxide Shell versus Hydrogen Passivation von Zhou, Zhiyong, Brus, Louis, Friesner, Richard

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Nonadiabatic processes in condensed matter: semi-classical theory and implementation von Webster, Frank, Rossky, P.J., Friesner, R.A.

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Krylov Methods for the Incompressible Navier-Stokes Equations von Edwards, W.S., Tuckerman, L.S., Friesner, R.A., Sorensen, D.C.

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Ab initio Quantum Chemistry: Methodology and Applications von Friesner, Richard A., Berne, Bruce J.

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Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis von Friesner, Richard A, Guallar, Victor

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Frozen orbital QM/MM methods for density functional theory von Murphy, R.B., Philipp, D.M., Friesner, R.A.

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Prediction of loop geometries using a generalized born model of solvation effects von Rapp, Chaya Sendrovic, Friesner, Richard A.

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Quantum mechanical calculations on biological systems von Friesner, Richard A, Beachy, Michael D

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Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects von Sherman, Woody, Day, Tyler, Jacobson, Matthew P, Friesner, Richard A, Farid, Ramy

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Replica Exchange with Solute Tempering: A Method for Sampling Biological Systems in Explicit Water von Liu, Pu, Kim, Byungchan, Friesner, Richard A., Berne, B. J.

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