Concepedia

Iván Pulido

IP

Statistics

Publications

6

Citations

213

H-Index

6

Active since

2022

Affiliations

Memorial Sloan Kettering Cancer Center(Current)

Tri-Institutional PhD Program in Chemical Biology

Cornell University

Asahi Kasei (Japan)

New York University

Iván Pulido is an author at Memorial Sloan Kettering Cancer Center specializing in computational chemistry, force fields, and drug discovery.

Publications per year

2022–2024

6

Publications

6

End-to-end differentiable construction of molecular mechanics force fields

Yuanqing Wang, Josh Fass, Benjamin Kaminow et al. · Chemical Science · 2022 · 90 citations · Full text

Natural Sciences, Physics, Computational Chemistry +15

Machine-learned molecular mechanics force fields from large-scale quantum chemical data

Kenichiro Takaba, Anika J. Friedman, Chapin E. Cavender et al. · Chemical Science · 2024 · 38 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Turning high-throughput structural biology into predictive inhibitor design

Kadi L. Saar, William McCorkindale, D. Fearon et al. · Proceedings of the National Academy of Sciences · 2023 · 25 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +14

EspalomaCharge: Machine Learning-Enabled Ultrafast Partial Charge Assignment

Yuanqing Wang, Iván Pulido, Kenichiro Takaba et al. · The Journal of Physical Chemistry A · 2024 · 25 citations · Full text

Natural Sciences, Chemistry, Biomolecular Modeling +16

Identifying and Overcoming the Sampling Challenges in Relative Binding Free Energy Calculations of a Model Protein:Protein Complex

Ivy Zhang, Dominic A. Rufa, Iván Pulido et al. · Journal of Chemical Theory and Computation · 2023 · 22 citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +14

1–5 of 6