Markus K Dahlgren

Markus K Dahlgren

Schrodinger LLC - - / United States
Medical and Health Sciences / Pharmacy & Pharmaceutical Sciences
AD Scientific Index ID: 4523566
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person_outline Markus K Dahlgren's MOST POPULAR ARTICLES
1-) OPLS3: a force field providing broad coverage of drug-like small molecules and proteinsE Harder, W Damm, J Maple, C Wu, M Reboul, JY Xiang, L Wang, ...Journal of chemical theory and computation 12 (1), 281-296, 201621882016
2-) Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force fieldL 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, 20158472015
3-) OPLS4: Improving force field accuracy on challenging regimes of chemical spaceC Lu, C Wu, D Ghoreishi, W Chen, L Wang, W Damm, GA Ross, ...Journal of chemical theory and computation 17 (7), 4291-4300, 2021
4-) OPLS3e: Extending force field coverage for drug-like small moleculesK Roos, C Wu, W Damm, M Reboul, JM Stevenson, C Lu, MK Dahlgren, ...Journal of chemical theory and computation 15 (3), 1863-1874, 2019
5-) Accurate binding free energy predictions in fragment optimizationTB Steinbrecher, M Dahlgren, D Cappel, T Lin, L Wang, G Krilov, R Abel, ...Journal of chemical information and modeling 55 (11), 2411-2420, 20151412015