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Markus K. Dahlgren
Markus K. Dahlgren
Principal Scientist II, Schrodinger
Verified email at schrodinger.com
Title
Cited by
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
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
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
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
Accurate binding free energy predictions in fragment optimization
TB Steinbrecher, M Dahlgren, D Cappel, T Lin, L Wang, G Krilov, R Abel, ...
Journal of chemical information and modeling 55 (11), 2411-2420, 2015
1282015
Characterization of biaryl torsional energetics and its treatment in OPLS all-atom force fields
MK Dahlgren, P Schyman, J Tirado-Rives, WL Jorgensen
Journal of chemical information and modeling 53 (5), 1191-1199, 2013
1102013
Reaction-based enumeration, active learning, and free energy calculations to rapidly explore synthetically tractable chemical space and optimize potency of cyclin-dependent …
KD Konze, PH Bos, MK Dahlgren, K Leswing, I Tubert-Brohman, ...
Journal of chemical information and modeling 59 (9), 3782-3793, 2019
1002019
Design, Synthesis, and Multivariate Quantitative Structure−Activity Relationship of SalicylanilidesPotent Inhibitors of Type III Secretion in Yersinia
MK Dahlgren, AM Kauppi, IM Olsson, A Linusson, M Elofsson
Journal of medicinal chemistry 50 (24), 6177-6188, 2007
902007
Statistical molecular design of a focused salicylidene acylhydrazide library and multivariate QSAR of inhibition of type III secretion in the Gram-negative bacterium Yersinia
MK Dahlgren, CE Zetterström, Å Gylfe, A Linusson, M Elofsson
Bioorganic & medicinal chemistry 18 (7), 2686-2703, 2010
782010
Pre-clinical pharmacokinetics and anti-chlamydial activity of salicylidene acylhydrazide inhibitors of bacterial type III secretion
T Ur-Rehman, A Slepenkin, H Chu, A Blomgren, MK Dahlgren, ...
The Journal of antibiotics 65 (8), 397-404, 2012
412012
Virtual Screening and Optimization Yield Low-Nanomolar Inhibitors of the Tautomerase Activity of Plasmodium falciparum Macrophage Migration Inhibitory Factor
MK Dahlgren, A Baeza Garcia, AA Hare, J Tirado-Rives, L Leng, R Bucala, ...
Journal of medicinal chemistry 55 (22), 10148-10159, 2012
352012
Illuminating HIV gp120-ligand recognition through computationally-driven optimization of antibody-recruiting molecules
CG Parker, MK Dahlgren, RN Tao, DT Li, EF Douglass, T Shoda, ...
Chemical science 5 (6), 2311-2317, 2014
262014
Statistical molecular design of balanced compound libraries for QSAR modeling
A Linusson, M Elofsson, IE Andersson, MK Dahlgren
Current medicinal chemistry 17 (19), 2001-2016, 2010
262010
TYK2 inhibitors and uses thereof
CE Masse, JR Greenwood, DL Romero, GC Harriman, RT Wester, ...
US Patent 10,023,571, 2018
152018
Synthesis of 2-(2-aminopyrimidine)-2, 2-difluoroethanols as potential bioisosters of salicylidene acylhydrazides
MK Dahlgren, CT Öberg, EA Wallin, PG Janson, M Elofsson
Molecules 15 (6), 4423-4438, 2010
142010
TYK2 inhibitors and uses thereof
M Dahlgren, JR Greenwood, GC Harriman, JJ Kennedy-smith, CE Masse, ...
US Patent 10,253,046, 2019
122019
TYK2 inhibitors and uses thereof
CE Masse, JR Greenwood, DL Romero, GC Harriman, RT Wester, ...
US Patent 10,196,390, 2019
122019
Tyk2 inhibitors and uses thereof
M Dahlgren, JR Greenwood, GC Harriman, JJ Kennedy-smith, CE Masse, ...
US Patent App. 15/054,594, 2016
122016
Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform
H Tang, K Jensen, E Houang, FM McRobb, S Bhat, M Svensson, ...
Journal of Medicinal Chemistry 65 (9), 6775-6802, 2022
112022
Virtual screening reveals allosteric inhibitors of the Toxoplasma gondii thymidylate synthase–dihydrofolate reductase
H Sharma, MJ Landau, TJ Sullivan, VP Kumar, MK Dahlgren, ...
Bioorganic & medicinal chemistry letters 24 (4), 1232-1235, 2014
102014
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