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Wolfgang Damm
Wolfgang Damm
Unknown affiliation
Verified email at schrodinger.com
Title
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Cited by
Year
OPLS3: a force field providing broad coverage of drug-like small molecules and proteins
E Harder, W Damm, J Maple, C Wu, M Reboul, JY Xiang, L Wang, ...
Journal of chemical theory and computation 12 (1), 281-296, 2016
27312016
Prediction of absolute solvation free energies using molecular dynamics free energy perturbation and the OPLS force field
D Shivakumar, J Williams, Y Wu, W Damm, J Shelley, W Sherman
Journal of chemical theory and computation 6 (5), 1509-1519, 2010
16162010
Integrated modeling program, applied chemical theory (IMPACT)
JL Banks, HS Beard, Y Cao, AE Cho, W Damm, R Farid, AK Felts, ...
Journal of computational chemistry 26 (16), 1752-1780, 2005
14052005
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
L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ...
Journal of the American Chemical Society 137 (7), 2695-2703, 2015
10862015
OPLS all‐atom force field for carbohydrates
W Damm, A Frontera, J Tirado–Rives, WL Jorgensen
Journal of computational chemistry 18 (16), 1955-1970, 1997
8821997
OPLS3e: Extending force field coverage for drug-like small molecules
K Roos, C Wu, W Damm, M Reboul, JM Stevenson, C Lu, MK Dahlgren, ...
Journal of chemical theory and computation 15 (3), 1863-1874, 2019
8092019
Polarizable force fields
TA Halgren, W Damm
Current opinion in structural biology 11 (2), 236-242, 2001
6472001
OPLS4: Improving force field accuracy on challenging regimes of chemical space
C Lu, C Wu, D Ghoreishi, W Chen, L Wang, W Damm, GA Ross, ...
Journal of chemical theory and computation 17 (7), 4291-4300, 2021
6332021
Improving the prediction of absolute solvation free energies using the next generation OPLS force field
D Shivakumar, E Harder, W Damm, RA Friesner, W Sherman
Journal of chemical theory and computation 8 (8), 2553-2558, 2012
2792012
An improved OPLS–AA force field for carbohydrates
D Kony, W Damm, S Stoll, WF Van Gunsteren
Journal of computational chemistry 23 (15), 1416-1429, 2002
2722002
A polarizable force field and continuum solvation methodology for modeling of protein− ligand interactions
JR Maple, Y Cao, W Damm, TA Halgren, GA Kaminski, LY Zhang, ...
Journal of Chemical Theory and Computation 1 (4), 694-715, 2005
1312005
Diastereofacial selectivity in reactions of substituted cyclohexyl radicals. An experimental and theoretical study
W Damm, B Giese, J Hartung, T Hasskerl, KN Houk, O Hüter, H Zipse
Journal of the American Chemical Society 114 (11), 4067-4079, 1992
1281992
Explicit-solvent molecular dynamics simulations of the polysaccharide schizophyllan in water
DB Kony, W Damm, S Stoll, WF Van Gunsteren, PH Hünenberger
Biophysical journal 93 (2), 442-455, 2007
782007
1, 2-Stereoinduction in acyclic radicals: allylic strain effects
B Giese, W Damm, F Wetterich, HG Zeitz
Tetrahedron letters 33 (14), 1863-1866, 1992
771992
The Curtin-Hammett principle: Stereoselective radical additions to alkenes
M Roth, W Damm, B Giese
Tetrahedron letters 37 (3), 351-354, 1996
531996
Cram's rule for radical reactions
B Giese, W Damm, J Dickhaut, F Wetterich, S Sun, DP Curran
Tetrahedron letters 32 (43), 6097-6100, 1991
531991
The effect of polar substituents on the conformation and stereochemistry of enolate radicals
B Giese, W Damm, F Wetterich, HG Zeitz, J Rancourt, Y Guindon
Tetrahedron letters 34 (37), 5885-5888, 1993
481993
1, 2-Asymmetric induction in reactions of nonconjugated acyclic radicals: a new model for highly selective atom-transfer reactions of alkyl-substituted radicals
G Thoma, DP Curran, SV Geib, B Giese, W Damm, F Wetterich
Journal of the American Chemical Society 115 (19), 8585-8591, 1993
391993
Mechanistic studies in the radical induced DNA strand cleavage—Formation and reactivity of the radical cation intermediate
R Glatthar, M Spichty, A Gugger, R Batra, W Damm, M Mohr, H Zipse, ...
Tetrahedron 56 (25), 4117-4128, 2000
372000
Cheratracts: Org
B Giese, W Damm, R Baiza
Chem 7, 355-70, 1994
371994
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