| Physics-based protein-structure prediction using a hierarchical protocol based on the UNRES force field: Assessment in two blind tests S Ołdziej, C Czaplewski, A Liwo, M Chinchio, M Nanias, JA Vila, M Khalili, ... Proceedings of the National Academy of Sciences 102 (21), 7547-7552, 2005 | 177 | 2005 |
| Free energies of hydration of solute molecules. 1. Improvement of the hydration shell model by exact computations of overlapping volumes YK Kang, G Nemethy, HA Scheraga Journal of Physical Chemistry 91 (15), 4105-4109, 1987 | 156 | 1987 |
| Additivity of atomic static polarizabilities and dispersion coefficients YK Kang, MS Jhon Theoretica chimica acta 61, 41-48, 1982 | 145 | 1982 |
| Positional preference of proline in α-helices MK Kim, YK Kang Protein science 8 (7), 1492-1499, 1999 | 122 | 1999 |
| Free energies of hydration of solute molecules. 4. Revised treatment of the hydration shell model YK Kang, KD Gibson, G Nemethy, HA Scheraga The Journal of Physical Chemistry 92 (16), 4739-4742, 1988 | 122 | 1988 |
| Ab initio MO and density functional studies on trans and cis conformers of N-methylacetamide YK Kang Journal of Molecular Structure: THEOCHEM 546 (1-3), 183-193, 2001 | 106 | 2001 |
| Free energies of hydration of solute molecules. 3. Application of the hydration shell model to charged organic molecules YK Kang, G Nemethy, HA Scheraga Journal of Physical Chemistry 91 (15), 4118-4120, 1987 | 91 | 1987 |
| Cis–trans isomerization and puckering of proline residue YK Kang, HY Choi Biophysical chemistry 111 (2), 135-142, 2004 | 87 | 2004 |
| Internal rotation about the C–N bond of amides YK Kang, HS Park Journal of Molecular Structure: THEOCHEM 676 (1-3), 171-176, 2004 | 82 | 2004 |
| Conformational preferences of non-prolyl and prolyl residues YK Kang The Journal of Physical Chemistry B 110 (42), 21338-21348, 2006 | 81 | 2006 |
| Free energies of hydration of solute molecules. 2. Application of the hydration shell model to nonionic organic molecules YK Kang, G Nemethy, HA Scheraga Journal of Physical Chemistry 91 (15), 4109-4117, 1987 | 79 | 1987 |
| Conformational preferences and pKa value of selenocysteine residue BJ Byun, YK Kang Biopolymers 95 (5), 345-353, 2011 | 60 | 2011 |
| Imide Cis−Trans Isomerization of N-Acetyl-N‘-methylprolineamide and Solvent Effects JS Jhon, YK Kang The Journal of Physical Chemistry A 103 (28), 5436-5439, 1999 | 60 | 1999 |
| Which functional form is appropriate for hydrogen bond of amides? YK Kang The Journal of Physical Chemistry B 104 (34), 8321-8326, 2000 | 56 | 2000 |
| Assessment of density functionals with long‐range and/or empirical dispersion corrections for conformational energy calculations of peptides YK Kang, BJ Byun Journal of computational chemistry 31 (16), 2915-2923, 2010 | 54 | 2010 |
| Pseudorotation in heterocyclic five-membered rings: Tetrahydrofuran and pyrrolidine SJ Han, YK Kang Journal of Molecular Structure: THEOCHEM 369 (1-3), 157-165, 1996 | 53 | 1996 |
| Cis− Trans Isomerization and Puckering of Pseudoproline Dipeptides YK Kang The Journal of Physical Chemistry B 106 (8), 2074-2082, 2002 | 51 | 2002 |
| Conformational preferences of proline oligopeptides YK Kang, JS Jhon, HS Park The Journal of Physical Chemistry B 110 (35), 17645-17655, 2006 | 50 | 2006 |
| Ab initio and DFT conformational study of proline dipeptide YK Kang Journal of Molecular Structure: THEOCHEM 675 (1-3), 37-45, 2004 | 45 | 2004 |
| Ab Initio Molecular Orbital Calculations on Low-Energy Conformers of N-Acetyl-N‘-methylprolineamide YK Kang The Journal of Physical Chemistry 100 (28), 11589-11595, 1996 | 45 | 1996 |
