 | 2009 |
| 12 |  | Yoshinobu Igarashi,
Emily Heureux,
Kutbuddin S. Doctor,
Priti Talwar,
Svetlana Gramatikova,
Kosi Gramatikoff,
Ying Zhang,
Michael L. Blinov,
Salmaz S. Ibragimova,
Sarah Boyd,
Boris Ratnikov,
Piotr Cieplak,
Adam Godzik,
Jeffrey W. Smith,
Andrei Osterman,
Alexey M. Eroshkin:
PMAP: databases for analyzing proteolytic events and pathways.
Nucleic Acids Research 37(Database-Issue): 611-618 (2009) |
| 2008 |
| 11 |  | François-Yves Dupradeau,
Christine Cézard,
Rodolphe Lelong,
Élodie Stanislawiak,
Julien Pêcher,
Jean Charles Delepine,
Piotr Cieplak:
R.E.DD.B.: A database for RESP and ESP atomic charges, and force field libraries.
Nucleic Acids Research 36(Database-Issue): 360-367 (2008) |
| 2006 |
| 10 |  | Zhi-Xiang Wang,
Wei Zhang,
Chun Wu,
Hongxing Lei,
Piotr Cieplak,
Yong Duan:
Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.
Journal of Computational Chemistry 27(6): 781-790 (2006) |
| 9 |  | Zhi-Xiang Wang,
Wei Zhang,
Chun Wu,
Hongxing Lei,
Piotr Cieplak,
Yong Duan:
Erratum - Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.
Journal of Computational Chemistry 27(8): 994 (2006) |
| 2003 |
| 8 |  | Yong Duan,
Chun Wu,
Shibasish Chowdhury,
Mathew C. Lee,
Guoming Xiong,
Wei Zhang,
Rong Yang,
Piotr Cieplak,
Ray Luo,
Taisung Lee,
James W. Caldwell,
Junmei Wang,
Peter A. Kollman:
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
Journal of Computational Chemistry 24(16): 1999-2012 (2003) |
| 7 |  | Adam Jarmula,
Piotr Cieplak,
Andrzej Les,
Wojciech Rode:
Relative free energies of binding to thymidylate synthase of 2- and/or 4-thio and/or 5-fluoro analogues of dUMP.
Journal of Computer-Aided Molecular Design 17(10): 699-710 (2003) |
| 2002 |
| 6 |  | Marek Orzechowski,
Piotr Cieplak,
Lucjan Piela:
Theoretical calculation of the coiled-coil stability in water in the context of its possible use as a molecular rack.
Journal of Computational Chemistry 23(1): 106-110 (2002) |
| 2001 |
| 5 |  | Piotr Cieplak,
James W. Caldwell,
Peter A. Kollman:
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-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases.
Journal of Computational Chemistry 22(10): 1048-1057 (2001) |
| 2000 |
| 4 |  | Junmei Wang,
Piotr Cieplak,
Peter A. Kollman:
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
Journal of Computational Chemistry 21(12): 1049-1074 (2000) |
| 1995 |
| 3 |  | Piotr Cieplak,
Wendy D. Cornell,
Christopher I. Bayly,
Peter A. Kollman:
Application of the Multimolecule and Multiconformational RESP Methodology to Biopolymers: Charge Derication for DNA, RNA, and Proteins.
Journal of Computational Chemistry 16(11): 1357-1376 (1995) |
| 2 |  | Allison E. Howard,
Piotr Cieplak,
Peter A. Kollman:
A Molecular Mechanical Model That Reproduces the Relative Energies for Chair and Twist-Boat Conformations of 1, 3-Dioxanes.
Journal of Computational Chemistry 16(2): 243-262 (1995) |
| 1993 |
| 1 |  | Piotr Cieplak,
Peter A. Kollman:
Peptide mimetics as enzyme inhibitors: Use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitor.
Journal of Computer-Aided Molecular Design 7(3): 291-304 (1993) |