W. Damm

发表

T. Halgren, W. Damm, T A Halgren, 2001, Current opinion in structural biology.

OPLS all‐atom force field for carbohydrates

William L. Jorgensen, Julian Tirado-Rives, Wolfgang Damm, 1997 .

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.

Jennifer L. Knight, Markus K. Dahlgren, Edward D Harder, 2015, Journal of the American Chemical Society.

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins.

Jennifer L. Knight, Markus K. Dahlgren, Edward D Harder, 2016, Journal of chemical theory and computation.

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field.

W. Sherman, Devleena Shivakumar, J. Shelley, 2010, Journal of chemical theory and computation.

High Energy Density in Azobenzene-based Materials for Photo-Thermal Batteries via Controlled Polymer Architecture and Polymer-Solvent Interactions

Edward D Harder, D. Venkataraman, L. Renna, 2017, Scientific Reports.

Mechanistic Studies in the Radical Induced DNA Strand Cleavage—Formation and Reactivity of the Radical Cation Intermediate

R. Batra, B. Giese, M. Spichty, 2000 .

The Curtin-Hammett principle: Stereoselective radical additions to alkenes

B. Giese, W. Damm, M. Roth, 1996 .

1,2-Asymmetric Induction in Reactions of Nonconjugated Acyclic Radicals: A New Model for Highly Selective Atom-Transfer Reactions of Alkyl-Substituted Radicals.

B. Giese, F. Wetterich, W. Damm, 1993 .

The influence of substituents at prochiral centers on the stereoselectivity of enolate radicals

W. Damm, T. Witzel, H.‐G. Zeitz, 1993 .

The effect of polar substituents on the conformation and stereochemistry of enolate radicals

B. Giese, J. Rancourt, F. Wetterich, 1993 .

The Felkin-Anh Rule in Radical Chemistry: 1,2-Stereoinduction in Radical Addition to Alkenes

B. Giese, W. Damm, M. Zehnder, 1992 .

The Curtin‐Hammett Principle: Stereoselective Radical Additions to Alkenes.

B. Giese, W. Damm, M. Roth, 1996 .

Diastereofacial Selectivity in Reactions of Substituted Cyclohexyl Radicals. An Experimental and Theoretical Study

K. Houk, B. Giese, W. Damm, 1992 .

OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.

Robert Abel, Lingle Wang, Richard A. Friesner, 2019, Journal of chemical theory and computation.

1,2-Stereoinduction in acyclic radicals: allylic strain effects

B. Giese, F. Wetterich, W. Damm, 1992 .

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

Gregory A Ross, Markus K. Dahlgren, Gregory A. Ross, 2021, Journal of chemical theory and computation.

Integrated Modeling Program, Applied Chemical Theory (IMPACT)

Richard A. Friesner, Anthony K. Felts, Ronald M. Levy, 2005, J. Comput. Chem..

Explicit-solvent molecular dynamics simulations of the polysaccharide schizophyllan in water.

Wilfred F van Gunsteren, Serge Stoll, Wolfgang Damm, 2007, Biophysical journal.

Cram's rule for radical reactions

B. Giese, F. Wetterich, W. Damm, 1991 .

Improving the Prediction of Absolute Solvation Free Energies Using the Next Generation OPLS Force Field.

Woody Sherman, Richard A Friesner, Wolfgang Damm, 2012, Journal of chemical theory and computation.

Molecular Recognition of Carbohydrates: Interaction of Diols with Acetate Ion

W. L. Jorgensen, W. Damm, A. Frontera, 1996 .

An improved OPLS–AA force field for carbohydrates

Wilfred F. van Gunsteren, Wolfgang Damm, D. Kony, 2002, J. Comput. Chem..

A Polarizable Force Field and Continuum Solvation Methodology for Modeling of Protein-Ligand Interactions.

Yixiang Cao, Richard A Friesner, George A. Kaminski, 2005, Journal of chemical theory and computation.

Advancing Free Energy Calculations of Metalloenzyme in Drug Discovery via Implementation of LFMM Potentials.

Edward D Harder, Haoyu S. Yu, Robert Abel, 2020, Journal of chemical theory and computation.

Explicit-Solvent Molecular Dynamics Simulations of the β(1→3)- and β(1→6)-Linked Disaccharides β-Laminarabiose and β-Gentiobiose in Water

Serge Stoll, Wolfgang Damm, Philippe H. Hünenberger, 2004 .

Polarizable force fields.

T. Halgren, W. Damm, 2001, Current opinion in structural biology.

Mechanistic Studies in the Radical Induced DNA Strand Cleavage — Formation and Reactivity of the Radical Cation Intermediate.

B. Giese, M. Spichty, W. Damm, 2000 .