| A second generation force field for the simulation of proteins, nucleic acids, and organic molecules WD Cornell, P Cieplak, CI Bayly, IR Gould, KM Merz, DM Ferguson, ... Journal of the American Chemical Society 117 (19), 5179-5197, 1995 | 14341 | 1995 |
| A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model CI Bayly, P Cieplak, W Cornell, PA Kollman The Journal of Physical Chemistry 97 (40), 10269-10280, 1993 | 5866 | 1993 |
| A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations Y Duan, C Wu, S Chowdhury, MC Lee, G Xiong, W Zhang, R Yang, ... Journal of computational chemistry 24 (16), 1999-2012, 2003 | 4219 | 2003 |
| How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? J Wang, P Cieplak, PA Kollman Journal of computational chemistry 21 (12), 1049-1074, 2000 | 4088 | 2000 |
| Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models PA Kollman, I Massova, C Reyes, B Kuhn, S Huo, L Chong, M Lee, T Lee, ... Accounts of chemical research 33 (12), 889-897, 2000 | 3783 | 2000 |
| Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate− DNA helices J Srinivasan, TE Cheatham, P Cieplak, PA Kollman, DA Case Journal of the American Chemical Society 120 (37), 9401-9409, 1998 | 1547 | 1998 |
| Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation WD Cornell, P Cieplak, CI Bayly, PA Kollman Journal of the American Chemical Society 115 (21), 9620-9631, 2002 | 1305 | 2002 |
| A modified version of the Cornell et al. force field with improved sugar pucker phases and helical repeat TE Cheatham III, P Cieplak, PA Kollman Journal of Biomolecular Structure and Dynamics 16 (4), 845-862, 1999 | 1004 | 1999 |
| S-nitrosylation of Drp1 mediates β-amyloid-related mitochondrial fission and neuronal injury DH Cho, T Nakamura, J Fang, P Cieplak, A Godzik, Z Gu, SA Lipton Science 324 (5923), 102-105, 2009 | 977 | 2009 |
| Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins P Cieplak, WD Cornell, C Bayly, PA Kollman Journal of Computational Chemistry 16 (11), 1357-1377, 1995 | 969 | 1995 |
| The Sorcerer II Global Ocean Sampling expedition: expanding the universe of protein families S Yooseph, G Sutton, DB Rusch, AL Halpern, SJ Williamson, ... PLoS Biol 5 (3), e16, 2007 | 926 | 2007 |
| The REd. Tools: Advances in RESP and ESP charge derivation and force field library building FY Dupradeau, A Pigache, T Zaffran, C Savineau, R Lelong, N Grivel, ... Physical Chemistry Chemical Physics 12 (28), 7821-7839, 2010 | 740 | 2010 |
| RED Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments E Vanquelef, S Simon, G Marquant, E Garcia, G Klimerak, JC Delepine, ... Nucleic acids research 39 (suppl_2), W511-W517, 2011 | 553 | 2011 |
| Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N … P Cieplak, J Caldwell, P Kollman Journal of Computational Chemistry 22 (10), 1048-1057, 2001 | 419 | 2001 |
| Encyclopedia of computational chemistry P von Ragué Schleyer, PR Schreiner, HF Schaefer III, WL Jorgensen, ... | 395 | 1998 |
| Polarization effects in molecular mechanical force fields P Cieplak, FY Dupradeau, Y Duan, J Wang Journal of Physics: Condensed Matter 21 (33), 333102, 2009 | 295 | 2009 |
| Molecular dynamics and free energy analyses of cathepsin D− inhibitor interactions: Insight into structure-based ligand design S Huo, J Wang, P Cieplak, PA Kollman, ID Kuntz Journal of medicinal chemistry 45 (7), 1412-1419, 2002 | 205 | 2002 |
| 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 | 203 | 1990 |
| New-generation amber united-atom force field L Yang, C Tan, MJ Hsieh, J Wang, Y Duan, P Cieplak, J Caldwell, ... The journal of physical chemistry B 110 (26), 13166-13176, 2006 | 200 | 2006 |
| J.; Ferguson, DM; Spellmeyer, DC; Fox, T.; Caldwell, JW; Kollman WD Cornell, P Cieplak, CI Bayly, IR Gould, K Merz J. Am. Chem. Soc 117, 5179-5197, 1995 | 195 | 1995 |
