| Water–water and water–ion potential functions including terms for many body effects TP Lybrand, PA Kollman The Journal of chemical physics 83 (6), 2923-2933, 1985 | 318 | 1985 |
| Theoretical calculation of relative binding affinity in host-guest systems. TP Lybrand, JA McCammon, G Wipff Proceedings of the National Academy of Sciences 83 (4), 833-835, 1986 | 288 | 1986 |
| Ligand—protein docking and rational drug design TP Lybrand Current opinion in structural biology 5 (2), 224-228, 1995 | 232 | 1995 |
| A new water potential including polarization: Application to gas‐phase, liquid, and crystal properties of water P Cieplak, P Kollman, T Lybrand The Journal of chemical physics 92 (11), 6755-6760, 1990 | 206 | 1990 |
| Hydration of chloride and bromide anions: determination of relative free energy by computer simulation TP Lybrand, I Ghosh, JA McCammon journal of the american chemical society 107 (25), 7793-7794, 1985 | 183 | 1985 |
| An EF-hand in the sodium channel couples intracellular calcium to cardiac excitability TL Wingo, VN Shah, ME Anderson, TP Lybrand, WJ Chazin, JR Balser Nature structural & molecular biology 11 (3), 219-225, 2004 | 169 | 2004 |
| Streptavidin–biotin binding energetics PS Stayton, S Freitag, LA Klumb, A Chilkoti, V Chu, JE Penzotti, R To, ... Biomolecular engineering 16 (1-4), 39-44, 1999 | 156 | 1999 |
| Staggered mesh Ewald: an extension of the smooth particle-mesh Ewald method adding great versatility DS Cerutti, RE Duke, TA Darden, TP Lybrand Journal of chemical theory and computation 5 (9), 2322-2338, 2009 | 149 | 2009 |
| Streptavidin and its biotin complex at atomic resolution I Le Trong, Z Wang, DE Hyre, TP Lybrand, PS Stayton, RE Stenkamp Acta Crystallographica Section D: Biological Crystallography 67 (9), 813-821, 2011 | 124 | 2011 |
| Three-dimensional structure for the β2 adrenergic receptor protein based on computer modeling studies K MaloneyHuss, TP Lybrand Journal of molecular biology 225 (3), 859-871, 1992 | 122 | 1992 |
| Direct identification of a distinct site of interaction between the carboxyl-terminal residue of cholecystokinin and the type A cholecystokinin receptor using photoaffinity … Z Ji, EM Hadac, RM Henne, SA Patel, TP Lybrand, LJ Miller Journal of Biological Chemistry 272 (39), 24393-24401, 1997 | 118 | 1997 |
| Polymorphic amino acid variations in HLA-DQ are associated with systematic physical property changes and occurrence of IDDM CB Sanjeevi, TP Lybrand, C DeWeese, M Landin-Olsson, I Kockum, ... Diabetes 44 (1), 125-131, 1995 | 118 | 1995 |
| Evoking picomolar binding in RNA by a single phosphorodithioate linkage ND Abeydeera, M Egli, N Cox, K Mercier, JN Conde, PS Pallan, ... Nucleic acids research 44 (17), 8052-8064, 2016 | 107 | 2016 |
| Calculation of free energy changes in ion–water clusters using nonadditive potentials and the Monte Carlo method P Cieplak, TP Lybrand, PA Kollman The Journal of chemical physics 86 (11), 6393-6403, 1987 | 100 | 1987 |
| Structural basis of specificity and degeneracy of T cell recognition: pluriallelic restriction of T cell responses to a peptide antigen involves both specific and promiscuous … DG Doherty, JE Penzotti, DM Koelle, WW Kwok, TP Lybrand, S Masewicz, ... The Journal of Immunology 161 (7), 3527-3535, 1998 | 95 | 1998 |
| A vulnerability in popular molecular dynamics packages concerning Langevin and Andersen dynamics DS Cerutti, R Duke, PL Freddolino, H Fan, TP Lybrand Journal of chemical theory and computation 4 (10), 1669-1680, 2008 | 92 | 2008 |
| Spatial approximation between the amino terminus of a peptide agonist and the top of the sixth transmembrane segment of the secretin receptor M Dong, Z Li, DI Pinon, TP Lybrand, LJ Miller Journal of Biological Chemistry 279 (4), 2894-2903, 2004 | 91 | 2004 |
| Computer simulation of biomolecular systems using molecular dynamics and free energy perturbation methods TP Lybrand Reviews in Computational Chemistry, 295-320, 1990 | 88 | 1990 |
| Ovalbumin(323−339) Peptide Binds to the Major Histocompatibility Complex Class II I-Ad Protein Using Two Functionally Distinct Registers BJ McFarland, AJ Sant, TP Lybrand, C Beeson Biochemistry 38 (50), 16663-16670, 1999 | 87 | 1999 |
| Direct identification of a second distinct site of contact between cholecystokinin and its receptor EM Hadac, DI Pinon, Z Ji, EL Holicky, RM Henne, TP Lybrand, LJ Miller Journal of Biological Chemistry 273 (21), 12988-12993, 1998 | 83 | 1998 |
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
