Follow
Jed W. Pitera
Jed W. Pitera
Principal Research Staff Member, IBM Research
Verified email at us.ibm.com
Title
Cited by
Cited by
Year
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
HW Horn, WC Swope, JW Pitera, JD Madura, TJ Dick, GL Hura, ...
The Journal of chemical physics 120 (20), 9665-9678, 2004
21692004
Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins
MR Shirts, JW Pitera, WC Swope, VS Pande
The Journal of chemical physics 119 (11), 5740-5761, 2003
7482003
Use of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations
JD Chodera, WC Swope, JW Pitera, C Seok, KA Dill
Journal of Chemical Theory and Computation 3 (1), 26-41, 2007
5382007
Describing protein folding kinetics by molecular dynamics simulations. 1. Theory
WC Swope, JW Pitera, F Suits
The Journal of Physical Chemistry B 108 (21), 6571-6581, 2004
5042004
Understanding folding and design: Replica-exchange simulations of``Trp-cage''miniproteins
JW Pitera, W Swope
Proceedings of the National Academy of Sciences 100 (13), 7587-7592, 2003
4422003
Blue Gene: A vision for protein science using a petaflop supercomputer
F Allen, G Almasi, W Andreoni, D Beece, BJ Berne, A Bright, J Brunheroto, ...
IBM systems journal 40 (2), 310-327, 2001
3512001
Long-time protein folding dynamics from short-time molecular dynamics simulations
JD Chodera, WC Swope, JW Pitera, KA Dill
Multiscale Modeling & Simulation 5 (4), 1214-1226, 2006
2682006
On the use of experimental observations to bias simulated ensembles
JW Pitera, JD Chodera
Journal of chemical theory and computation 8 (10), 3445-3451, 2012
2342012
Dielectric properties of proteins from simulation: the effects of solvent, ligands, pH, and temperature
JW Pitera, M Falta, WF van Gunsteren
Biophysical journal 80 (6), 2546-2555, 2001
2262001
Describing protein folding kinetics by molecular dynamics simulations. 2. Example applications to alanine dipeptide and a β-hairpin peptide
WC Swope, JW Pitera, F Suits, M Pitman, M Eleftheriou, BG Fitch, ...
The Journal of Physical Chemistry B 108 (21), 6582-6594, 2004
2242004
Heterogeneous folding of the trpzip hairpin: full atom simulation and experiment
WY Yang, JW Pitera, WC Swope, M Gruebele
Journal of molecular biology 336 (1), 241-251, 2004
2082004
Two-Dimensional Pattern Formation Using Graphoepitaxy of PS-b-PMMA Block Copolymers for Advanced FinFET Device and Circuit Fabrication
H Tsai, JW Pitera, H Miyazoe, S Bangsaruntip, SU Engelmann, CC Liu, ...
ACS nano 8 (5), 5227-5232, 2014
1752014
A comparison of non-bonded scaling approaches for free energy calculations
JW Pitera, WF van Gunsteren
Molecular Simulation 28 (1-2), 45-65, 2002
1742002
Simulations of the estrogen receptor ligand-binding domain: affinity of natural ligands and xenoestrogens
BC Oostenbrink, JW Pitera, MMH van Lipzig, JHN Meerman, ...
Journal of medicinal chemistry 43 (24), 4594-4605, 2000
1392000
Characterization of the TIP4P-Ew water model: Vapor pressure and boiling point
HW Horn, WC Swope, JW Pitera
The Journal of chemical physics 123 (19), 194504, 2005
1342005
Self-assembly in casting solutions of block copolymer membranes
DS Marques, U Vainio, NM Chaparro, VM Calo, AR Bezahd, JW Pitera, ...
Soft Matter 9 (23), 5557-5564, 2013
1272013
Soft patchy nanoparticles from solution-phase self-assembly of binary diblock copolymers
G Srinivas, JW Pitera
Nano letters 8 (2), 611-618, 2008
982008
Accelerating materials discovery using artificial intelligence, high performance computing and robotics
EO Pyzer-Knapp, JW Pitera, PWJ Staar, S Takeda, T Laino, DP Sanders, ...
npj Computational Materials 8 (1), 1-9, 2022
972022
Broad-spectrum antimicrobial supramolecular assemblies with distinctive size and shape
K Fukushima, JPK Tan, PA Korevaar, YY Yang, J Pitera, A Nelson, ...
ACS nano 6 (10), 9191-9199, 2012
972012
Biochemical Characterization and Crystallographic Structure of an Escherichia coli Protein from the Phosphotriesterase Gene Family
JL Buchbinder, RC Stephenson, MJ Dresser, JW Pitera, TS Scanlan, ...
Biochemistry 37 (15), 5096-5106, 1998
951998
The system can't perform the operation now. Try again later.
Articles 1–20