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Journal of Computational Chemistry|September 10, 2008
Performance of density functional models to reproduce observed (13)C(alpha) chemical shifts of proteins in solutionJorge A Vila, Héctor A Baldoni, Harold A ScheragaThe Journal of Physical Chemistry. B|April 20, 2011
Simple physics-based analytical formulas for the potentials of mean force of the interaction of amino-acid side chains in water. V. Like-charged side chainsMariusz Makowski, Adam Liwo, Emil Sobolewski, et al.Journal of Computational Chemistry|February 27, 2009
Exploring the parameter space of the coarse-grained UNRES force field by random search: selecting a transferable medium-resolution force fieldYi He, Yi Xiao, Adam Liwo, et al.Biophysical Chemistry|December 19, 2002
Helix-coil transitions re-visitedHarold A Scheraga, Jorge A Vila, Daniel R RipollProceedings of the National Academy of Sciences of the United States of America|August 4, 2004
Inhibitor design by wrapping packing defects in HIV-1 proteinsAriel Fernández, Kristina Rogale, Ridgway Scott, et al.Journal of Biomolecular NMR|December 21, 2006
Effects of side-chain orientation on the 13C chemical shifts of antiparallel beta-sheet model peptidesMyriam E Villegas, Jorge A Vila, Harold A ScheragaThe Journal of Physical Chemistry. B|May 23, 2007
Use of 13Calpha chemical shifts in protein structure determinationJorge A Vila, Daniel R Ripoll, Harold A ScheragaThe Journal of Physical Chemistry. B|December 31, 2009
Potential of mean force of association of large hydrophobic particles: toward the nanoscale limitMariusz Makowski, Cezary Czaplewski, Adam Liwo, et al.The Journal of Physical Chemistry. B|August 8, 2008
FAMBE-pH: a fast and accurate method to compute the total solvation free energies of proteinsYury N Vorobjev, Jorge A Vila, Harold A ScheragaJournal of Chemical Theory and Computation|February 18, 2010
Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with alpha and alpha+beta ProteinsCezary Czaplewski, Sebastian Kalinowski, Adam Liwo, et al.Pageof 26