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Emanuele Paci
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CHARMM: the biomolecular simulation program
BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ...
Journal of computational chemistry 30 (10), 1545-1614, 2009
85102009
Three key residues form a critical contact network in a protein folding transition state
M Vendruscolo, E Paci, CM Dobson, M Karplus
Nature 409 (6820), 641-645, 2001
4962001
Pulling geometry defines the mechanical resistance of a β-sheet protein
DJ Brockwell, E Paci, RC Zinober, GS Beddard, PD Olmsted, DA Smith, ...
Nature Structural & Molecular Biology 10 (9), 731-737, 2003
4472003
Small-world view of the amino acids that play a key role in protein folding
M Vendruscolo, NV Dokholyan, E Paci, M Karplus
Physical Review E 65 (6), 061910, 2002
4422002
Forced unfolding of fibronectin type 3 modules: an analysis by biased molecular dynamics simulations
E Paci, M Karplus
Journal of molecular biology 288 (3), 441-459, 1999
4081999
Unfolding proteins by external forces and temperature: the importance of topology and energetics
E Paci, M Karplus
Proceedings of the National Academy of Sciences 97 (12), 6521-6526, 2000
3502000
Allostery in its many disguises: from theory to applications
SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ...
Structure 27 (4), 566-578, 2019
2982019
Mechanical unfolding of a titin Ig domain: structure of unfolding intermediate revealed by combining AFM, molecular dynamics simulations, NMR and protein engineering
SB Fowler, RB Best, JLT Herrera, TJ Rutherford, A Steward, E Paci, ...
Journal of molecular biology 322 (4), 841-849, 2002
2302002
ORAC: A molecular dynamics program to simulate complex molecular systems with realistic electrostatic interactions
P Procacci, TA Darden, E Paci, M Marchi
Journal of computational chemistry 18 (15), 1848-1862, 1997
2101997
Mechanical unfolding of a titin Ig domain: structure of transition state revealed by combining atomic force microscopy, protein engineering and molecular dynamics simulations
RB Best, SB Fowler, JLT Herrera, A Steward, E Paci, J Clarke
Journal of molecular biology 330 (4), 867-877, 2003
1932003
Mechanically unfolding the small, topologically simple protein L
DJ Brockwell, GS Beddard, E Paci, DK West, PD Olmsted, DA Smith, ...
Biophysical journal 89 (1), 506-519, 2005
1922005
Pulling direction as a reaction coordinate for the mechanical unfolding of single molecules
RB Best, E Paci, G Hummer, OK Dudko
The Journal of Physical Chemistry B 112 (19), 5968-5976, 2008
1592008
Rare fluctuations of native proteins sampled by equilibrium hydrogen exchange
M Vendruscolo, E Paci, CM Dobson, M Karplus
Journal of the American Chemical Society 125 (51), 15686-15687, 2003
1412003
Mechanical resistance of proteins explained using simple molecular models
DK West, DJ Brockwell, PD Olmsted, SE Radford, E Paci
Biophysical journal 90 (1), 287-297, 2006
1322006
Mechanical unfolding of TNfn3: the unfolding pathway of a fnIII domain probed by protein engineering, AFM and MD simulation
SP Ng, RWS Rounsevell, A Steward, CD Geierhaas, PM Williams, E Paci, ...
Journal of molecular biology 350 (4), 776-789, 2005
1292005
The remarkable mechanical strength of polycystin-1 supports a direct role in mechanotransduction
JR Forman, S Qamar, E Paci, RN Sandford, J Clarke
Journal of molecular biology 349 (4), 861-871, 2005
1292005
Determination of a transition state at atomic resolution from protein engineering data
E Paci, M Vendruscolo, CM Dobson, M Karplus
Journal of molecular biology 324 (1), 151-163, 2002
1222002
Protein folding and the organization of the protein topology universe
K Lindorff-Larsen, P Røgen, E Paci, M Vendruscolo, CM Dobson
Trends in biochemical sciences 30 (1), 13-19, 2005
1192005
Transition states for protein folding have native topologies despite high structural variability
K Lindorff-Larsen, M Vendruscolo, E Paci, CM Dobson
Nature structural & molecular biology 11 (5), 443-449, 2004
1112004
Structures and relative free energies of partially folded states of proteins
M Vendruscolo, E Paci, M Karplus, CM Dobson
Proceedings of the National Academy of Sciences 100 (25), 14817-14821, 2003
1052003
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Articles 1–20