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Wolfgang Damm

Schrödinger

18

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5515

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OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space.

2021 Journal of Chemical Theory and Computation
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Advancing Free Energy Calculations of Metalloenzyme in Drug Discovery via Implementation of LFMM Potentials.

2020 Journal of Chemical Theory and Computation
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High Energy Density in Azobenzene-based Materials for Photo-Thermal Batteries via Controlled Polymer Architecture and Polymer-Solvent Interactions

2017 Scientific Reports
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Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

2015 Journal of the American Chemical Society
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Improving the Prediction of Absolute Solvation Free Energies Using the Next Generation OPLS Force Field

2012 Journal of Chemical Theory and Computation
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Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

2010 Journal of Chemical Theory and Computation
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Explicit-Solvent Molecular Dynamics Simulations of the Polysaccharide Schizophyllan in Water

2007 Biophysical Journal
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Integrated Modeling Program, Applied Chemical Theory (IMPACT)

2005 Journal of Computational Chemistry
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A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein-Ligand Interactions

2005 Journal of Chemical Theory and Computation
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Citations (100)
Polarizable force fields.

2001 Current Opinion in Structural Biology
- Thomas A. Halgren
- Wolfgang Damm
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Citations (417)