Follow
Piotr Cieplak
Piotr Cieplak
Professor of Chemistry, SBP Medical Discovery Institute
Verified email at sbpdiscovery.org
Title
Cited by
Cited by
Year
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
160181995
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
77371993
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
49312000
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
48932003
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
46852000
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
18641998
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
15402002
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
12082009
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
11251995
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
10901999
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
10032007
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
9642010
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
8042011
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
4962001
Encyclopedia of computational chemistry
PR Schleyer
(No Title), 1998
4651998
Polarization effects in molecular mechanical force fields
P Cieplak, FY Dupradeau, Y Duan, J Wang
Journal of Physics: Condensed Matter 21 (33), 333102, 2009
3782009
Spellmeyer
WD Cornell, P Cieplak, CL Bayly, LR Gould, KM Merz, DM Ferguson
DC, Fox, T., Caldwell, JW, and Kollman, PA, 5179-5197, 1995
2551995
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
2382006
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
2172006
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
2172002
The system can't perform the operation now. Try again later.
Articles 1–20