Följ
Andrew D. White
Titel
Citeras av
Citeras av
År
Promoting transparency and reproducibility in enhanced molecular simulations
M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ...
Nature methods 16 (8), 670-673, 2019
4172019
Sequence, structure, and function of peptide self-assembled monolayers
AK Nowinski, F Sun, AD White, AJ Keefe, S Jiang
Journal of the American Chemical Society 134 (13), 6000-6005, 2012
2902012
Functionalizable and ultra stable nanoparticles coated with zwitterionic poly (carboxybetaine) in undiluted blood serum
W Yang, L Zhang, S Wang, AD White, S Jiang
Biomaterials 30 (29), 5617-5621, 2009
2802009
Difference in hydration between carboxybetaine and sulfobetaine
Q Shao, Y He, AD White, S Jiang
The Journal of Physical Chemistry B 114 (49), 16625-16631, 2010
2332010
Promoting transparency and reproducibility in enhanced molecular simulations
Nature methods 16 (8), 670-673, 2019
2252019
Chemcrow: Augmenting large-language models with chemistry tools
AM Bran, S Cox, O Schilter, C Baldassari, AD White, P Schwaller
arXiv preprint arXiv:2304.05376, 2023
1392023
Decoding nonspecific interactions from nature
AD White, AK Nowinski, W Huang, AJ Keefe, F Sun, S Jiang
Chemical Science 3 (12), 3488-3494, 2012
1162012
Efficient and minimal method to bias molecular simulations with experimental data
AD White, GA Voth
Journal of chemical theory and computation 10 (8), 3023-3030, 2014
1112014
Biologically inspired stealth peptide-capped gold nanoparticles
AK Nowinski, AD White, AJ Keefe, S Jiang
Langmuir 30 (7), 1864-1870, 2014
1022014
Model agnostic generation of counterfactual explanations for molecules
GP Wellawatte, A Seshadri, AD White
Chemical science 13 (13), 3697-3705, 2022
872022
SELFIES and the future of molecular string representations
M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey, P Friederich, ...
Patterns 3 (10), 2022
852022
Local and bulk hydration of zwitterionic glycine and its analogues through molecular simulations
A White, S Jiang
The Journal of Physical Chemistry B 115 (4), 660-667, 2011
832011
Can parked cars and carbon taxes create a profit? The economics of vehicle-to-grid energy storage for peak reduction
GM Freeman, TE Drennen, AD White
Energy Policy 106, 183-190, 2017
622017
Assessment of chemistry knowledge in large language models that generate code
AD White, GM Hocky, HA Gandhi, M Ansari, S Cox, GP Wellawatte, ...
Digital Discovery 2 (2), 368-376, 2023
56*2023
Designing free energy surfaces that match experimental data with metadynamics
AD White, JF Dama, GA Voth
Journal of Chemical Theory and Computation 11 (6), 2451-2460, 2015
562015
Free energy of solvated salt bridges: A simulation and experimental study
AD White, AJ Keefe, JR Ella-Menye, AK Nowinski, Q Shao, J Pfaendtner, ...
The Journal of Physical Chemistry B 117 (24), 7254-7259, 2013
512013
Different effects of zwitterion and ethylene glycol on proteins
Q Shao, Y He, AD White, S Jiang
The Journal of chemical physics 136 (22), 2012
502012
Screening nonspecific interactions of peptides without background interference
AJ Keefe, KB Caldwell, AK Nowinski, AD White, A Thakkar, S Jiang
Biomaterials 34 (8), 1871-1877, 2013
482013
A Directly Functionalizable Surface Platform for Protein Arrays in Undiluted Human Blood Plasma
ND Brault, AD White, AD Taylor, Q Yu, S Jiang
Analytical Chemistry 85 (3), 1447-1453, 2013
462013
Graph neural network based coarse-grained mapping prediction
Z Li, GP Wellawatte, M Chakraborty, HA Gandhi, C Xu, AD White
Chemical science 11 (35), 9524-9531, 2020
452020
Systemet kan inte utföra åtgärden just nu. Försök igen senare.
Artiklar 1–20