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

Volltext

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.

Volltext

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

Volltext

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

Volltext

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

Volltext

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.

Volltext

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

Volltext

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

Volltext

algorithm to generate low-resolution protein tertiary structures from knowledge of secondary structure von Monge, A, Friesner, R.A, Honig, B

Volltext

A New Semiempirical Approach to Study Ground and Excited States of Metal Complexes in Biological Systems von Margulis, C. J, Guallar, V, Sim, E, Friesner, R. A, Berne, B. J

Volltext

Efficient pseudospectral methods for density functional calculations von Murphy, R. B., Cao, Y., Beachy, M. D., Ringnalda, M. N., Friesner, R. A.

Volltext

PREDICTION OF ANOMALOUS REDSHIFT IN SEMICONDUCTOR CLUSTERS von KRISHNA, MVR, FRIESNER, RA

Volltext

Exciton spectra of semiconductor clusters von RAMA KRISHNA, M. V, FRIESNER, R. A

Volltext

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

Volltext

Spectroscopy and electron transfer dynamics of the bacterial photosynthetic reaction center von Friesner, Richard A., Won, Youngdo

Volltext

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

Volltext

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

Volltext

Efficient recursive implementation of the modified Broyden method and the direct inversion in the iterative subspace method: Acceleration of self-consistent calculations von Kawata, M., Cortis, C. M., Friesner, R. A.

Volltext

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

Volltext

Scanning electrochemical microscopy: theory and application of the transient (chronoamperometric) SECM response von Bard, Allen J., Denuault, Guy, Friesner, Richard A., Dornblaser, Bright C., Tuckerman, Laurette S.

Volltext