Symon Gathiaka

AstraZeneca (Germany) — Germany

Engineering · Physical Sciences

16h-index1.4kcitations31works10.72yr avg
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Research Topics

Molecular Junctions and Nanostructures(6), Computational Drug Discovery Methods(5), Monoclonal and Polyclonal Antibodies Research(4), Epigenetics and DNA Methylation(3), Quantum Dots Synthesis And Properties(3)

Publications31 total

Correction: Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries
Journal of Cheminformatics·2025Open Access
Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries
Journal of Cheminformatics·2025· 1 citedOpen Access
Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS<sup>G12C</sup> Inhibitor
Journal of Medicinal Chemistry·2024· 31 cited
Abstract B074: Discovery of MK-1084, a low dose selective clinical stage KRAS G12C inhibitor
Molecular Cancer Therapeutics·2023· 1 cited
Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods
Bioorganic & Medicinal Chemistry Letters·2023· 3 citedOpen Access
Author Correction: Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action
Communications Biology·2021Open Access
Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors
ACS Medicinal Chemistry Letters·2021· 19 citedOpen Access
Cryo-EM structures of inhibitory antibodies complexed with Arginase1 provide insight into mechanism of action
Acta Crystallographica Section A Foundations and Advances·2021Open Access
Cryo-EM structures of inhibitory antibodies complexed with arginase 1 provide insight into mechanism of action
Communications Biology·2021· 9 citedOpen Access
Structure-Based Discovery of Proline-Derived Arginase Inhibitors with Improved Oral Bioavailability for Immuno-Oncology
ACS Medicinal Chemistry Letters·2021· 22 citedOpen Access
Abstract 297: Innovation in delivering synthetically challenging bicyclic arginase inhibitors to enhance immunotherapy
Cancer Research·2021· 2 cited
Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy
ACS Medicinal Chemistry Letters·2020· 30 citedOpen Access
Understanding Keesom Interactions in Monolayer-Based Large-Area Tunneling Junctions
The Journal of Physical Chemistry Letters·2018· 33 cited
D3R Grand Challenge 2: blind prediction of protein–ligand poses, affinity rankings, and relative binding free energies
Journal of Computer-Aided Molecular Design·2017· 192 citedOpen Access
Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations
Journal of Chemical Theory and Computation·2017· 538 citedOpen Access
Role of Molecular Dipoles in Charge Transport across Large Area Molecular Junctions Delineated Using Isomorphic Self-Assembled Monolayers
The Journal of Physical Chemistry C·2017· 26 cited
ChemInform Abstract: Application of Ionic Liquids in Pot‐in‐Pot Reactions
ChemInform·2016
Effect of Substrate Morphology on the Odd–Even Effect in Hydrophobicity of Self-Assembled Monolayers
Langmuir·2016· 26 cited
D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions
Journal of Computer-Aided Molecular Design·2016· 217 citedOpen Access
Understanding protein arginine methyltransferase 1 (PRMT1) product specificity from molecular dynamics
Bioorganic & Medicinal Chemistry·2016· 10 cited
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Frequent Co-authors

Orlando Acevedo(8), Martin Thuo(8), R.L. Palte(8), J. Richard Miller(7), David L. Sloman(5), Thomas W. Lyons(5), Anandan Palani(5), Kalyan Chakravarthy(5), Jennifer O’Neil(5), Christian Fischer(5), W. Patrick Walters(4), Jiahao Chen(4), Stephanie Oyola‐Reynoso(4), Christopher Brynczka(4), Derun Li(4), Adam Beard(4), Josep Saurí(4), Hongjun Zhang(4), Zhengjia Wang(3), Richard Miller(3)