Piotr Cieplak
Orcid: 0000-0003-0700-5691
According to our database1,
Piotr Cieplak
authored at least 16 papers
between 1993 and 2021.
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Bibliography
2021
2016
CaspNeuroD: a knowledgebase of predicted caspase cleavage sites in human proteins related to neurodegenerative diseases.
Database J. Biol. Databases Curation, 2016
2011
R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments.
Nucleic Acids Res., 2011
2009
Nucleic Acids Res., 2009
2008
Nucleic Acids Res., 2008
2006
Erratum - Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.
J. Comput. Chem., 2006
Strike a balance: Optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.
J. Comput. Chem., 2006
2005
5, 10-Methylene-5, 6, 7, 8-tetrahydrofolate conformational transitions upon binding to thymidylate synthase: molecular mechanics and continuum solvent studies.
J. Comput. Aided Mol. Des., 2005
2003
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations.
J. Comput. Chem., 2003
Relative free energies of binding to thymidylate synthase of 2- and/or 4-thio and/or 5-fluoro analogues of dUMP.
J. Comput. Aided Mol. Des., 2003
2002
Theoretical calculation of the coiled-coil stability in water in the context of its possible use as a molecular rack.
J. Comput. Chem., 2002
2001
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.
J. Comput. Chem., 2001
2000
How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?
J. Comput. Chem., 2000
1995
A Molecular Mechanical Model That Reproduces the Relative Energies for Chair and Twist-Boat Conformations of 1, 3-Dioxanes.
J. Comput. Chem., 1995
Application of the Multimolecule and Multiconformational RESP Methodology to Biopolymers: Charge Derication for DNA, RNA, and Proteins.
J. Comput. Chem., 1995
1993
Peptide mimetics as enzyme inhibitors: Use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitor.
J. Comput. Aided Mol. Des., 1993