Ron Elber
Ron Elber
U of Texas at Austin, Dept of Chem and the Inst for Comput Eng and Sci
Dirección de correo verificada de ices.utexas.edu - Página principal
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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
15222000
Multiple conformational states of proteins: a molecular dynamics analysis of myoglobin
R Elber, M Karplus
Science 235 (4786), 318-321, 1987
7751987
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
6131990
Computing time scales from reaction coordinates by milestoning
AK Faradjian, R Elber
The Journal of chemical physics 120 (23), 10880-10889, 2004
5442004
A method for determining reaction paths in large molecules: Application to myoglobin
R Elber, M Karplus
Chemical Physics Letters 139 (5), 375-380, 1987
4861987
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
3141990
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
3071990
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
2391996
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
2241991
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
2212000
Long-timescale simulation methods
R Elber
Current opinion in structural biology 15 (2), 151-156, 2005
2052005
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
2041995
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
1932007
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
1931995
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
1921992
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
1871990
On the assumptions underlying milestoning
E Vanden-Eijnden, M Venturoli, G Ciccotti, R Elber
The Journal of chemical physics 129 (17), 174102, 2008
1722008
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
1512001
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
1491995
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
1471991
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Artículos 1–20