M. S. Bodnarchuk

发表

Lowering Lipophilicity by Adding Carbon: One-Carbon Bridges of Morpholines and Piperazines.

James S. Scott, S. Degorce, I. Cumming, 2018, Journal of medicinal chemistry.

Structure-based design and pharmacokinetic optimization of covalent allosteric inhibitors of the mutant GTPase KRASG12C.

Doyle J Cassar, J. Breed, D. Ogg, 2020, Journal of medicinal chemistry.

Self-Assembly of Calcium Carbonate Nanoparticles in Water and Hydrophobic Solvents

D. Heyes, D. Dini, M. S. Bodnarchuk, 2014 .

Enhancing Ligand and Protein Sampling Using Sequential Monte Carlo

I. Wall, J. Essex, Antonella Ciancetta, 2022, Journal of chemical theory and computation.

Heteroarylamide smoothened inhibitors: Discovery of N-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(2-pyridylmethoxy)benzamide (AZD8542) and N-[5-(1H-imidazol-2-yl)-2,4-dimethyl-phenyl]-4-(2- pyridylmethoxy)benzamide (AZD7254).

J. Janetka, A. Hird, L. Dakin, 2019, Bioorganic & medicinal chemistry.

Alkynyl Benzoxazines and Dihydroquinazolines as Cysteine Targeting Covalent Warheads and Their Application in Identification of Selective Irreversible Kinase Inhibitors.

David M. Robinson, M. Waring, D. Ogg, 2020, Journal of the American Chemical Society.

Virtual Screening Approach to Identifying a Novel and Tractable Series of Pseudomonas aeruginosa Elastase Inhibitors.

A. K. Forrest, D. Davies, M. Lemonnier, 2021, ACS medicinal chemistry letters.

Polyelectrolyte pKa from experiment and molecular dynamics simulation

D. B. Wright, D. Heyes, D. Dini, 2017 .

Virtual Screening in the Cloud Identifies Potent and Selective ROS1 Kinase Inhibitors

J. Sadowski, D. Hargreaves, James S. Scott, 2022, J. Chem. Inf. Model..

Molecular Dynamics study of CaCO 3 nanoparticles in hydrophobic solvent with stearate co-surfactant

D. Heyes, D. Dini, M. S. Bodnarchuk, 2015 .

Intramolecular Ring-Opening of Oxetanes: Access to Functionalised Hydroxymethyl 2,3-Dihydroimidazo[1,2-c]quinazolines

D. Mckerrecher, M. S. Bodnarchuk, T. A. King, 2020 .

Discovery of AZD4625, a Covalent Allosteric Inhibitor of the Mutant GTPase KRASG12C.

Doyle J Cassar, Nichola L. Davies, J. Breed, 2022, Journal of medicinal chemistry.

Molecular Dynamics Studies of Overbased Detergents on a Water Surface.

D. Heyes, D. Dini, M. S. Bodnarchuk, 2017, Langmuir : the ACS journal of surfaces and colloids.

Response of Calcium Carbonate Nanoparticles in Hydrophobic Solvent to Pressure, Temperature, and Water

D. Heyes, D. Dini, M. S. Bodnarchuk, 2015 .

A molecular dynamics study of CaCO3 nanoparticles in a hydrophobic solvent with a stearate co-surfactant.

D. Heyes, D. Dini, M. S. Bodnarchuk, 2015, Physical chemistry chemical physics : PCCP.

Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study

Jonathan W. Essex, Michael S. Bodnarchuk, Jonathan S. Mason, 2013, J. Chem. Inf. Model..

DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines.

S. Hughes, M. S. Bodnarchuk, H. Käck, 2019, ACS medicinal chemistry letters.

Utilizing Grand Canonical Monte Carlo Methods in Drug Discovery.

Michael S Bodnarchuk, Martin J Packer, Alexe Haywood, 2019, ACS medicinal chemistry letters.

Water, water, everywhere… It's time to stop and think.

Michael S Bodnarchuk, M. S. Bodnarchuk, M. Bodnarchuk, 2016, Drug discovery today.

Water Sites, Networks, And Free Energies with Grand Canonical Monte Carlo.

Gregory A Ross, Jonathan W Essex, Michael S Bodnarchuk, 2015, Journal of the American Chemical Society.

Strategies to Calculate Water Binding Free Energies in Protein-Ligand Complexes

Jonathan W. Essex, Julien Michel, Michael S. Bodnarchuk, 2014, J. Chem. Inf. Model..