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\n \n 2024\n \n \n (3)\n \n \n
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\n\n \n \n \n \n \n \n FLIGHTED: Inferring Fitness Landscapes from Noisy High-Throughput Experimental Data.\n \n \n \n \n\n\n \n Sundar, V.; Tu, B.; Guan, L.; and Esvelt, K.\n\n\n \n\n\n\n
bioRxiv. 2024.\n
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@article{flightedmain,\n author = "Vikram Sundar and Boqiang Tu and Lindsey Guan and Kevin Esvelt",\n title = {{FLIGHTED: Inferring Fitness Landscapes from Noisy High-Throughput Experimental Data}},\n journal = "bioRxiv",\n year = "2024",\n url_Paper={https://www.biorxiv.org/content/10.1101/2024.03.26.586797v1},\n}
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\n \n 2023\n \n \n (1)\n \n \n
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\n\n \n \n \n \n \n \n FLIGHTED: Inferring Fitness Landscapes from Noisy High-Throughput Data.\n \n \n \n \n\n\n \n Sundar, V.; Tu, B.; Guan, L.; and Esvelt, K.\n\n\n \n\n\n\n 2023.\n
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@conference{flightedconf,\n author = "Vikram Sundar and Boqiang Tu and Lindsey Guan and Kevin Esvelt",\n title = {{FLIGHTED: Inferring Fitness Landscapes from Noisy High-Throughput Data}},\n booktitle = "NeurIPS Workshop: Machine Learning and Structural Biology",\n year = "2023",\n url_Paper={https://www.mlsb.io/papers_2023/FLIGHTED_Inferring_Fitness_Landscapes_from_Noisy_High-Throughput_Experimental_Data.pdf},\n}\n\n
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\n \n 2022\n \n \n (1)\n \n \n
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\n\n \n \n \n \n \n \n Neural Network-Derived Potts Models for Structure-Based Protein Design using Backbone Atomic Coordinates and Tertiary Motifs.\n \n \n \n \n\n\n \n Li, A.; Lu, M.; Desta, I.; Sundar, V.; Grigoryan, G.; and Keating, A.\n\n\n \n\n\n\n
Protein Science, 32: e4554. 2022.\n
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@article{TERMinator,\n author = "Alex Li and Mindren Lu and Israel Desta and Vikram Sundar and Gevorg Grigoryan and Amy Keating",\n\ttitle = {{Neural Network-Derived Potts Models for Structure-Based Protein Design using Backbone Atomic Coordinates and Tertiary Motifs}},\n\tyear = {2022},\n\tjournal = {Protein Science},\n volume = {32},\n issue = {2},\n pages = {e4554},\n url_Paper={https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9854172/pdf/PRO-32-e4554.pdf},\n}\n\n
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\n \n 2021\n \n \n (1)\n \n \n
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\n\n \n \n \n \n \n \n TERMinator: A Neural Framework for Structure-Based Protein Design using Tertiary Repeating Motifs.\n \n \n \n \n\n\n \n Li, A.; Sundar, V.; Grigoryan, G.; and Keating, A.\n\n\n \n\n\n\n 2021.\n
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@conference{TERMinatorconf,\n author = "Alex Li and Vikram Sundar and Gevorg Grigoryan and Amy Keating",\n title = "{TERMinator: A Neural Framework for Structure-Based Protein Design using Tertiary Repeating Motifs}",\n booktitle = "NeurIPS Workshop: Machine Learning and Structural Biology",\n year = "2021",\n url_Paper={https://arxiv.org/pdf/2204.13048.pdf},\n}\n\n
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\n \n 2020\n \n \n (3)\n \n \n
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\n\n \n \n \n \n \n \n The Effect of Debiasing Protein-Ligand Binding Data on Generalization.\n \n \n \n \n\n\n \n Sundar, V.; and Colwell, L.\n\n\n \n\n\n\n
J Chem Inf Model, 60(1): 56-62. 2020.\n
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@article{debiasing,\n author="Vikram Sundar and Lucy Colwell",\n title="{The Effect of Debiasing Protein-Ligand Binding Data on Generalization}",\n year="2020",\n journal="J Chem Inf Model",\n number="1",\n volume="60",\n pages="56-62",\n url_Paper={https://pubs.acs.org/doi/10.1021/acs.jcim.9b00415},\n}\n\n
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\n\n \n \n \n \n \n \n Using Single Protein/Ligand Binding Models to Predict Active Ligands for Unseen Proteins.\n \n \n \n \n\n\n \n Sundar, V.; and Colwell, L.\n\n\n \n\n\n\n
bioRxiv. 2020.\n
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@article{DTI,\n author="Vikram Sundar and Lucy Colwell",\n title="{Using Single Protein/Ligand Binding Models to Predict Active Ligands for Unseen Proteins}",\n journal="bioRxiv",\n year="2020",\n url_Paper={https://www.biorxiv.org/content/10.1101/2020.08.02.233155v2.full.pdf},\n}\n\n
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\n\n \n \n \n \n \n \n Attribution Methods Reveal Flaws in Fingerprint-Based Virtual Screening.\n \n \n \n \n\n\n \n Sundar, V.; and Colwell, L.\n\n\n \n\n\n\n 2020.\n
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@conference{attributionconf,\n author = "Vikram Sundar and Lucy Colwell",\n title = "{Attribution Methods Reveal Flaws in Fingerprint-Based Virtual Screening}",\n booktitle = "ICML Workshop: ML Interpretability for Scientific Discovery",\n year = "2020",\n url_Paper={https://arxiv.org/pdf/2007.01436.pdf},\n}\n\n
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\n \n 2019\n \n \n (2)\n \n \n
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\n\n \n \n \n \n \n Using Machine Learning to Predict Protein/Ligand Interactions.\n \n \n \n\n\n \n Sundar, V.\n\n\n \n\n\n\n MPhil Thesis, University of Cambridge, 2019.\n
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@mastersthesis{mphilthesis,\n author="Vikram Sundar",\n title="{Using Machine Learning to Predict Protein/Ligand Interactions}",\n year="2019",\n school="University of Cambridge",\n type="{MPhil Thesis}"\n}\n\n
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\n\n \n \n \n \n \n \n Using Single Protein/Ligand Binding Models to Predict Active Ligands for Previously Unseen Proteins.\n \n \n \n \n\n\n \n Sundar, V.; and Colwell, L.\n\n\n \n\n\n\n 2019.\n
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@conference{DTIconf,\n author = "Vikram Sundar and Lucy Colwell",\n title = "{Using Single Protein/Ligand Binding Models to Predict Active Ligands for Previously Unseen Proteins}",\n booktitle = "NeurIPS Workshop: Machine Learning and the Physical Sciences",\n year = "2019",\n url_Paper={https://ml4physicalsciences.github.io/2019/files/NeurIPS_ML4PS_2019_66.pdf},\n}\n\n
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\n \n 2018\n \n \n (2)\n \n \n
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\n\n \n \n \n \n \n \n Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors.\n \n \n \n \n\n\n \n Sundar, V.; Gelbwaser-Klimovsky, D.; and Aspuru-Guzik, A.\n\n\n \n\n\n\n
J Phys Chem Lett, 9(7): 1721-1727. 2018.\n
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@article{ffftheory,\n author="Vikram Sundar and David Gelbwaser-Klimovsky and Al\\'an Aspuru-Guzik",\n title="{Reproducing Quantum Probability Distributions at the Speed of Classical Dynamics: A New Approach for Developing Force-Field Functors}",\n year="2018",\n journal="J Phys Chem Lett",\n number="7",\n volume="9",\n pages="1721-1727",\n url_Paper={https://pubs.acs.org/doi/10.1021/acs.jpclett.7b03254},\n}\n\n
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\n\n \n \n \n \n \n \n Bounds on Errors in Observables Computed from Molecular Dynamics Simulations.\n \n \n \n \n\n\n \n Sundar, V.\n\n\n \n\n\n\n Senior Thesis, Harvard University, 2018.\n
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@mastersthesis{seniorthesis,\n author="Vikram Sundar",\n title="{Bounds on Errors in Observables Computed from Molecular Dynamics Simulations}",\n school="Harvard University",\n year="2018",\n type="{Senior Thesis}",\n url_Paper={https://legacy-www.math.harvard.edu/theses/senior/sundar/sundar.pdf},\n}\n\n
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