Ron Elber
Ron Elber
U of Texas at Austin, Dept of Chem and the Inst for Comput Eng and Sci
Verified email at - Homepage
Cited by
Cited by
fw2. 2: a quantitative trait locus key to the evolution of tomato fruit size
A Frary, TC Nesbitt, A Frary, S Grandillo, E Van Der Knaap, B Cong, J Liu, ...
Science 289 (5476), 85-88, 2000
Multiple conformational states of proteins: a molecular dynamics analysis of myoglobin
R Elber, M Karplus
Science 235 (4786), 318-321, 1987
Enhanced sampling in molecular dynamics: use of the time-dependent Hartree approximation for a simulation of carbon monoxide diffusion through myoglobin
R Elber, M Karplus
Journal of the American Chemical Society 112 (25), 9161-9175, 1990
Computing time scales from reaction coordinates by milestoning
AK Faradjian, R Elber
The Journal of chemical physics 120 (23), 10880-10889, 2004
A method for determining reaction paths in large molecules: Application to myoglobin
R Elber, M Karplus
Chemical Physics Letters 139 (5), 375-380, 1987
A new technique to calculate steepest descent paths in flexible polyatomic systems
A Ulitsky, R Elber
The Journal of chemical physics 92 (2), 1510-1511, 1990
Reaction path study of conformational transitions in flexible systems: applications to peptides
R Czerminski, R Elber
The Journal of chemical physics 92 (9), 5580-5601, 1990
Calculation of classical trajectories with a very large time step: Formalism and numerical examples
R Olender, R Elber
The Journal of chemical physics 105 (20), 9299-9315, 1996
Modeling side chains in peptides and proteins: Application of the locally enhanced sampling and the simulated annealing methods to find minimum energy conformations
A Roitberg, R Elber
The Journal of chemical physics 95 (12), 9277-9287, 1991
Distance‐dependent, pair potential for protein folding: Results from linear optimization
D Tobi, R Elber
Proteins: Structure, Function, and Bioinformatics 41 (1), 40-46, 2000
Long-timescale simulation methods
R Elber
Current opinion in structural biology 15 (2), 151-156, 2005
Structural and functional effects of apolar mutations of the distal valine in myoglobin
ML Quillin, T Li, JS Olson, GN Phillips Jr, Y Duo, M Ikeda-Saito, R Regan, ...
Journal of molecular biology 245 (4), 416-436, 1995
MOIL: A program for simulations of macromolecules
R Elber, A Roitberg, C Simmerling, R Goldstein, H Li, G Verkhivker, ...
Computer Physics Communications 91 (1-3), 159-189, 1995
Extending molecular dynamics time scales with milestoning: example of complex kinetics in a solvated peptide
AMA West, R Elber, D Shalloway
The Journal of chemical physics 126 (14), 04B608, 2007
Distal pocket residues affect picosecond ligand recombination in myoglobin. An experimental and molecular dynamics study of position 29 mutants.
QH Gibson, R Regan, R Elber, JS Olson, TE Carver
Journal of Biological Chemistry 267 (31), 22022-22034, 1992
Self‐avoiding walk between two fixed points as a tool to calculate reaction paths in large molecular systems
R Czerminski, R Elber
International Journal of Quantum Chemistry 38 (S24), 167-185, 1990
On the assumptions underlying milestoning
E Vanden-Eijnden, M Venturoli, G Ciccotti, R Elber
The Journal of chemical physics 129 (17), 174102, 2008
Linear programming optimization and a double statistical filter for protein threading protocols
J Meller, R Elber
Proteins: Structure, Function, and Bioinformatics 45 (3), 241-261, 2001
Anharmonic wave functions of proteins: quantum self-consistent field calculations of BPTI
A Roitberg, RB Gerber, R Elber, MA Ratner
Science 268 (5215), 1319-1322, 1995
Reaction path study of helix formation in tetrapeptides: Effect of side chains
C Choi, R Elber
The Journal of chemical physics 94 (1), 751-760, 1991
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