| 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 | 16959 | 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 | 9036 | 1993 |
| 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 | 5637 | 2000 |
| 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 | 5203 | 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 | 4987 | 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 | 2036 | 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 | 1683 | 2002 |
| 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 | 1332 | 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 | 1205 | 1995 |
| 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 | 1127 | 1999 |
| 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 | 1071 | 2010 |
| The Sorcerer II Global Ocean Sampling Expedition: Expanding the Universe of Protein Families S Yooseph, G Sutton, DB Rusch, AL Halpern, SJ Williamson, ... PLoS biology 5 (3), e16, 2007 | 1047 | 2007 |
| 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 | 956 | 2011 |
| Encyclopedia of computational chemistry P von Ragué Schleyer, NL Allinger, T Clark, J Gasteiger, P Kollman, ... J. Wiley & Sons, 1998 | 547* | 1998 |
| 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 | 519 | 2001 |
| Polarization effects in molecular mechanical force fields P Cieplak, FY Dupradeau, Y Duan, J Wang Journal of Physics: Condensed Matter 21 (33), 333102, 2009 | 419 | 2009 |
| 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 | 265 | 2006 |
| Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC WD Cornell, P Cieplak Fox T, Caldwell JW, Kollman PA: A second generation force field for the …, 1995 | 247 | 1995 |
| Epitope-resolved profiling of the SARS-CoV-2 antibody response identifies cross-reactivity with endemic human coronaviruses JT Ladner, SN Henson, AS Boyle, AL Engelbrektson, ZW Fink, F Rahee, ... Cell Reports Medicine 2 (1), 2021 | 234 | 2021 |
| Strike a balance: optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides ZX Wang, W Zhang, C Wu, H Lei, P Cieplak, Y Duan Journal of computational chemistry 27 (6), 781-790, 2006 | 228 | 2006 |
