fw2.2: A Quantitative Trait Locus Key to the Evolution of Tomato Fruit Size A Frary, TC Nesbitt, A Frary, S Grandillo, E Knaap, B Cong, J Liu, J Meller, ... Science 289 (5476), 85-88, 2000 | 1842 | 2000 |
Multiple conformational states of proteins: a molecular dynamics analysis of myoglobin R Elber, M Karplus Science 235 (4786), 318-321, 1987 | 838 | 1987 |
Computing time scales from reaction coordinates by milestoning AK Faradjian, R Elber The Journal of chemical physics 120 (23), 10880-10889, 2004 | 716 | 2004 |
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 | 667 | 1990 |
A method for determining reaction paths in large molecules: Application to myoglobin R Elber, M Karplus Chemical Physics Letters 139 (5), 375-380, 1987 | 563 | 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 | 339 | 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 | 324 | 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 | 260 | 1996 |
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 | 242 | 2000 |
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 | 237 | 1991 |
Long-timescale simulation methods R Elber Current opinion in structural biology 15 (2), 151-156, 2005 | 227 | 2005 |
Extending molecular dynamics time scales with milestoning: Example of complex kinetics in a solvated peptide A West, R Elber, D Shalloway The Journal of chemical physics 126 (14), 2007 | 226 | 2007 |
On the assumptions underlying milestoning E Vanden-Eijnden, M Venturoli, G Ciccotti, R Elber The Journal of chemical physics 129 (17), 2008 | 222 | 2008 |
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 | 215 | 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 | 209 | 1995 |
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 | 207 | 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 | 205 | 1990 |
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 | 187 | 1991 |
Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: a CASP‐CAPRI experiment MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ... Proteins: Structure, Function, and Bioinformatics 84, 323-348, 2016 | 168 | 2016 |
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 | 167 | 2001 |