Alex Dickson

  • dynamics, simulation, ligands, kinetics

Department of Biochemistry and Molecular Biology
Department of Computational Mathematics, Science and Engineering

BCH 310C | web site | alexrd@msu.edu

  • Pharmacological biophysics
  • Network modeling
  • Rare event sampling methods

Google Scholar

Recent Publications

REVO: Resampling of ensembles by variation optimization.
Donyapour N, Roussey NM, Dickson A.
J Chem Phys (2019) Jun 28; 150(24):244112.

Markov-State Transition Path Analysis of Electrostatic Channeling.
Liu Y, Hickey DP, Minteer SD, Dickson A, Calabrese Barton S.
J Phys Chem C Nanomater Interfaces (2019) Jun 20; 123(24):15284-15292.

Isothermal Analysis of ThermoFluor Data can readily provide Quantitative Binding Affinities.
Bai N, Roder H, Dickson A, Karanicolas J.
Sci Rep (2019) Feb 25; 9(1):2650.

Mapping the Ligand Binding Landscape.
Dickson A.
Biophys J (2018) Nov 6; 115(9):1707-1719.

Predicting ligand binding affinity using on- and off-rates for the SAMPL6 SAMPLing challenge.
Dixon T, Lotz SD, Dickson A.
J Comput Aided Mol Des (2018) Oct; 32(10):1001-1012.

Structural insights into lethal contractural syndrome type 3 (LCCS3) caused by a missense mutation of PIP5Kγ.
Zeng X, Uyar A, Sui D, Donyapour N, Wu D, Dickson A, Hu J.
Biochem J (2018) Jul 26; 475(14):2257-2269.

A biosensor-based framework to measure latent proteostasis capacity.
Wood RJ, Ormsby AR, Radwan M, Cox D, Sharma A, Vöpel T, Ebbinghaus S, Oliveberg M, Reid GE, Dickson A, Hatters DM.
Nat Commun (2018) Jan 18; 9(1):287.

Unbiased Molecular Dynamics of 11 min Timescale Drug Unbinding Reveals Transition State Stabilizing Interactions.
Lotz SD, Dickson A.
J Am Chem Soc (2018) Jan 17; 140(2):618-628.

Long-Range Changes in Neurolysin Dynamics Upon Inhibitor Binding.
Uyar A, Karamyan VT, Dickson A.
J Chem Theory Comput (2018) Jan 9; 14(1):444-452.

Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review.
Dickson A, Tiwary P, Vashisth H.
Curr Top Med Chem (2017) 17(23):2626-2641.

Ligand Release Pathways Obtained with WExplore: Residence Times and Mechanisms.
Dickson A, Lotz SD.
J Phys Chem B (2016) Jun 23; 120(24):5377-85.

Optimal allosteric stabilization sites using contact stabilization analysis.
Dickson A, Bailey CT, Karanicolas J.
J Comput Chem (2017) Jun 5; 38(15):1138-1146.

Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExplore.
Dickson A, Lotz SD.
Biophys J (2017) Feb 28; 112(4):620-629.