| ZymCTRL: a conditional language model for the controllable generation of artificial enzymes G Munsamy, S Lindner, P Lorenz, N Ferruz NeurIPS machine learning in structural biology workshop, 2022 | 31 | 2022 |
| A dual target of Plasmepsin IX and X: Unveiling the atomistic superiority of a core chemical scaffold in malaria therapy G Munsamy, C Agoni, MES Soliman Journal of Cellular Biochemistry 120 (5), 7876-7887, 2019 | 27 | 2019 |
| Homology modeling in drug discovery-an update on the last decade G Munsamy, MES Soliman Letters in Drug Design & Discovery 14 (9), 1099-1111, 2017 | 22 | 2017 |
| CF3‐Pyridinyl Substitution on Antimalarial Therapeutics: Probing Differential Ligand Binding and Dynamical Inhibitory Effects of a Novel Triazolopyrimidine‐Based Inhibitor on … C Agoni, EY Salifu, G Munsamy, FA Olotu, M Soliman Chemistry & Biodiversity 16 (12), e1900365, 2019 | 20 | 2019 |
| Does size really matter? Probing the efficacy of structural reduction in the optimization of bioderived compounds–a computational “proof-of-concept” FA Olotu, G Munsamy, MES Soliman Computational and Structural Biotechnology Journal 16, 573-586, 2018 | 20 | 2018 |
| Unveiling a new era in malaria therapeutics: A tailored molecular approach towards the design of plasmepsin IX inhibitors G Munsamy, MES Soliman The Protein Journal 38 (6), 616-627, 2019 | 19 | 2019 |
| Egress and invasion machinery of malaria: an in-depth look into the structural and functional features of the flap dynamics of plasmepsin IX and X G Munsamy, P Ramharack, MES Soliman RSC advances 8 (39), 21829-21840, 2018 | 16 | 2018 |
| Human rhinovirus inhibition through capsid “canyon” perturbation: structural insights into the role of a novel benzothiophene derivative C Agoni, P Ramharack, G Munsamy, MES Soliman Cell Biochemistry and Biophysics 78, 3-13, 2020 | 12 | 2020 |
| Integrating bioinformatics strategies in cancer immunotherapy: current and future perspectives HN Washah, EY Salifu, O Soremekun, AA Elrashedy, G Munsamy, ... Combinatorial Chemistry & High Throughput Screening 23 (8), 687-698, 2020 | 11 | 2020 |
| Conditional language models enable the efficient design of proficient enzymes G Munsamy, R Illanes-Vicioso, S Funcillo, IT Nakou, S Lindner, G Ayres, ... bioRxiv, 2024.05. 03.592223, 2024 | 8 | 2024 |
| Conditional language models enable the efficient design of proficient enzymes. bioRxiv G Munsamy, R Illanes-Vicioso, S Funcillio Published online, 2024 | 5 | 2024 |
| Tweaking α-galactoceramides: Probing the dynamical mechanisms of improved recognition for invariant natural killer T-cell receptor in cancer immunotherapeutics H Washah, C Agoni, FA Olotu, G Munsamy, MES Soliman Current Pharmaceutical Biotechnology 21 (13), 1354-1367, 2020 | 5 | 2020 |
| Improving Alphafold2 performance with a global metagenomic & biological data supply chain G Munsamy, T Bohnuud, P Lorenz bioRxiv, 2024.03. 06.583325, 2024 | 4 | 2024 |
| Diagnostic, prognostic and therapeutic potential of heat shock proteins in schistosomiasis and bladder cancer: a review NK Qokoyi, P Masamba, G Munsamy, AP Kappo Letters in Drug Design & Discovery 18 (7), 650-665, 2021 | 3 | 2021 |
| HiFi-NN annotates the microbial dark matter with Enzyme Commission numbers G Ayres, G Munsamy, M Heinzinger, N Ferruz, K Yang, P Lorenz In Machine Learning for Structural Biology Workshop, NeurIPS 2023, 2023 | 2 | 2023 |
| Closing the Gap: An Atomistic Structural and Functional Perspective of S. mansoni Universal Stress G4LZI3 Protein in Complex with Phenolic Compounds P Masamba, G Munsamy, AP Kappo Current Drug Discovery Technologies 18 (5), 98-111, 2021 | 1 | 2021 |
| Minimizing toxicity and maximizing the potency of bioderived compounds by synthetic fragmentation-a computational'proof-of-concept' FA Olotu, G Munsamy, ME Soliman JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS 37, 37-37, 2019 | | 2019 |
| Structural and Functional Characterization of the Egress and Invasion Machinery of the Malaria Parasite: Proposing a New Way Forward in Malaria Therapeutics from an Atomistic … G Munsamy University of KwaZulu-Natal, Westville, 2019 | | 2019 |