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» Authors » R A Friesner

R A Friesner

Explore the profile of R A Friesner including associated specialties, affiliations and a list of published articles. Areas
Snapshot
Articles 22
Citations 217
Followers 0
Related Specialties
Chemistry
Molecular Biology
Science
Top 10 Co-Authors
D M Standley
V A Eyrich
J R Gunn
Y Won
A K Felts
B D Dunietz
A Monge
A E McDERMOTT
M R Johnson
C S Rapp
Published In
Proc Natl Acad Sci U S A
Proteins
J Mol Biol
J Am Chem Soc
Annu Rev Phys Chem
Affiliations
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Recent Articles
1.
Exciton interactions in synthetic porphyrin dimers
Won Y, Friesner R, Johnson M, Sessler J
Photosynth Res . 2014 Jan; 22(3):201-10. PMID: 24424810
The Soret absorption spectra of six synthetic rigid porphyrin dimers whose crystal structures have been determined are simulated using simple exciton theory. The objective is to test the validity of...
2.
Ligand binding to protein-binding pockets with wet and dry regions
Wang L, Berne B, Friesner R
Proc Natl Acad Sci U S A . 2011 Jan; 108(4):1326-30. PMID: 21205906
Biological processes often depend on protein-ligand binding events, yet accurate calculation of the associated energetics remains as a significant challenge of central importance to structure-based drug design. Recently, we have...
3.
Protein structure prediction using a combination of sequence-based alignment, constrained energy minimization, and structural alignment
Standley D, Eyrich V, An Y, Pincus D, Gunn J, Friesner R
Proteins . 2002 Feb; Suppl 5:133-9. PMID: 11835490
We present a novel approach to protein structure prediction in which fold recognition techniques are combined with ab initio folding methods. Based on the predicted secondary structure, one of two...
4.
An experimental and computational analysis of the formation of the terminal nitrido complex (eta3-Cp*)2Mo(N)(N3) by elimination of N2 from Cp*2Mo(N3)2: the barrier to elimination is strongly influenced by the exo versus endo configuration of the...
Shin J, Bridgewater B, Churchill D, Baik M, Friesner R, Parkin G
J Am Chem Soc . 2001 Oct; 123(41):10111-2. PMID: 11592896
No abstract available.
5.
Activation of the C-H bond of methane by intermediate Q of methane monooxygenase: a theoretical study
Gherman B, Dunietz B, Whittington D, Lippard S, Friesner R
J Am Chem Soc . 2001 Jul; 123(16):3836-7. PMID: 11457123
No abstract available.
6.
Large-scale ab initio quantum chemical calculations on biological systems
Friesner R, Dunietz B
Acc Chem Res . 2001 May; 34(5):351-8. PMID: 11352713
In this Account we describe recent advances in two ab initio electronic structure methods, localized perturbation approaches and density functional theory, that allow accurate calculations including electron correlation to be...
7.
Prediction of protein tertiary structure to low resolution: performance for a large and structurally diverse test set
Eyrich V, Standley D, Friesner R
J Mol Biol . 1999 May; 288(4):725-42. PMID: 10329175
We report the tertiary structure predictions for 95 proteins ranging in size from 17 to 160 residues starting from known secondary structure. Predictions are obtained from global minimization of an...
8.
Prediction of loop geometries using a generalized born model of solvation effects
Rapp C, Friesner R
Proteins . 1999 May; 35(2):173-83. PMID: 10223290
We have carried out an extensive exploration of the possibility of predicting the structure of long loops in proteins, using an 8- and a 12-residue loop in ribonuclease A as...
9.
Protein tertiary structure prediction using a branch and bound algorithm
Eyrich V, Standley D, Felts A, Friesner R
Proteins . 1999 Mar; 35(1):41-57. PMID: 10090285
We report a new method for predicting protein tertiary structure from sequence and secondary structure information. The predictions result from global optimization of a potential energy function, including van der...
10.
A branch and bound algorithm for protein structure refinement from sparse NMR data sets
Standley D, Eyrich V, Felts A, Friesner R, McDERMOTT A
J Mol Biol . 1999 Jan; 285(4):1691-710. PMID: 9917406
We describe new methods for predicting protein tertiary structures to low resolution given the specification of secondary structure and a limited set of long-range NMR distance constraints. The NMR data...