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Owen Madin
Owen Madin
在 schrodinger.com 的电子邮件经过验证
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Development and benchmarking of open force field 2.0. 0: the Sage small molecule force field
S Boothroyd, PK Behara, OC Madin, DF Hahn, H Jang, V Gapsys, ...
Journal of chemical theory and computation 19 (11), 3251-3275, 2023
782023
Deep learning based Nucleus Classification in pancreas histological images
YH Chang, G Thibault, O Madin, V Azimi, C Meyers, B Johnson, J Link, ...
2017 39th annual international conference of the IEEE engineering in …, 2017
542017
Improving Force Field Accuracy by Training against Condensed-Phase Mixture Properties
S Boothroyd, OC Madin, DL Mobley, LP Wang, JD Chodera, MR Shirts
Journal of chemical theory and computation 18 (6), 3577-3592, 2022
182022
Bayesian-inference-driven model parametrization and model selection for 2CLJQ fluid models
OC Madin, S Boothroyd, RA Messerly, J Fass, JD Chodera, MR Shirts
Journal of chemical information and modeling 62 (4), 874-889, 2022
142022
Using physical property surrogate models to perform accelerated multi-fidelity optimization of force field parameters
OC Madin, MR Shirts
Digital Discovery 2 (3), 828-847, 2023
7*2023
OPLS5: Addition of Polarizability and Improved Treatment of Metals
W Damm, S Dajnowicz, D Ghoreishi, Y Yu, K Ganeshan, O Madin, ...
2024
Improving Non-bonded Molecular Interactions through Enhanced Modeling Techniques
OC Madin
University of Colorado at Boulder, 2022
2022
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