Edward Daniel Harder, Ph.D.
Affiliations: | 2004 | Columbia University, New York, NY |
Area:
Theory of liquids, molecular dynamics and Monte Carlo simulations of condensed matterGoogle:
"Edward Harder"Mean distance: 8.91 | S | N | B | C | P |
Parents
Sign in to add mentor| Bruce J. Berne | grad student | 2004 | Columbia | |
| (Development and application of methods for analysis and efficient simulation of biomolecular systems.) | ||||
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Publications
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| Ross GA, Lu C, Scarabelli G, et al. (2023) The maximal and current accuracy of rigorous protein-ligand binding free energy calculations. Communications Chemistry. 6: 222 |
| Coskun D, Chen W, Clark AJ, et al. (2022) Reliable and Accurate Prediction of Single-Residue p Values through Free Energy Perturbation Calculations. Journal of Chemical Theory and Computation |
| Jacobson LD, Stevenson JM, Ramezanghorbani F, et al. (2022) Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions. Journal of Chemical Theory and Computation |
| Lu C, Wu C, Ghoreishi D, et al. (2021) OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space. Journal of Chemical Theory and Computation |
| Ross GA, Russell E, Deng Y, et al. (2020) Enhancing water sampling in free energy calculations with grand canonical Monte Carlo. Journal of Chemical Theory and Computation |
| Dajnowicz S, Ghoreishi D, Modugula K, et al. (2020) Advancing Free Energy Calculations of Metalloenzyme in Drug Discovery via Implementation of LFMM Potentials. Journal of Chemical Theory and Computation |
| Yu HS, Gao C, Lupyan D, et al. (2019) Towards Atomistic Modelling of Irreversible Covalent Inhibitor Binding Kinetics. Journal of Chemical Information and Modeling |
| Roos K, Wu C, Damm W, et al. (2019) OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules. Journal of Chemical Theory and Computation |
| Lin FY, Lopes PE, Harder ED, et al. (2018) Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator. Journal of Chemical Information and Modeling |
| Abel R, Wang L, Harder ED, et al. (2017) Advancing Drug Discovery through Enhanced Free Energy Calculations. Accounts of Chemical Research |