Jed W. Pitera
IBM Research - Almaden(US)
Publications by Year
Research Areas
Protein Structure and Dynamics, Block Copolymer Self-Assembly, Machine Learning in Materials Science, Enzyme Structure and Function, Advanced Polymer Synthesis and Characterization
Most-Cited Works
- → Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew(2004)2,130 cited
- → Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins(2003)675 cited
- → Use of the Weighted Histogram Analysis Method for the Analysis of Simulated and Parallel Tempering Simulations(2006)513 cited
- → Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 1. Theory(2004)437 cited
- → Accelerating materials discovery using artificial intelligence, high performance computing and robotics(2022)357 cited
- → Understanding folding and design: Replica-exchange simulations of ``Trp-cage'' miniproteins(2003)342 cited
- → On the Use of Experimental Observations to Bias Simulated Ensembles(2012)271 cited
- → Blue Gene: A vision for protein science using a petaflop supercomputer(2001)255 cited
- → Long‐Time Protein Folding Dynamics from Short‐Time Molecular Dynamics Simulations(2006)227 cited
- → Heterogeneous Folding of the trpzip Hairpin: Full Atom Simulation and Experiment(2003)170 cited