Diwakar Shukla

Citirano

	Sve	Od 2020.
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Vijay PandeAndreessen Horowitz, Stanford UniversityPotvrđena adresa e-pošte na stanford.edu
Matthew C. ChanMahan Postdoctoral Fellow, Fred Hutch Cancer Research CenterPotvrđena adresa e-pošte na fredhutch.org
Chuankai ZhaoMachine Learning Engineer, AmazonPotvrđena adresa e-pošte na amazon.com
Soumajit DuttaPostdoctoral Researcher, University of ChicagoPotvrđena adresa e-pošte na uchicago.edu
Alexander S. MoffettPostdoctoral Fellow, Center for Theoretical Biological Physics, Northeastern UniversityPotvrđena adresa e-pošte na northeastern.edu
Morgan LawrenzSchrodingerPotvrđena adresa e-pošte na schrodinger.com
Zahra ShamsiSoftware Engineer, Google ResearchPotvrđena adresa e-pošte na google.com
Erik ProckoAssociate Professor, University of Illinois at Urbana-ChampaignPotvrđena adresa e-pošte na illinois.edu
Jiangyan FengSenior Advisor at Eli Lilly and CompanyPotvrđena adresa e-pošte na lilly.com
Shriyaa MittalCell PressPotvrđena adresa e-pošte na cell.com
Austin WeigleORISE USDA-ARS SCINet/AI-CoE Postdoctoral FellowPotvrđena adresa e-pošte na illinois.edu
Russ B AltmanProfessor Stanford UniversityPotvrđena adresa e-pošte na stanford.edu
Benoit RouxProfessor of Biochemistry, The university of ChicagoPotvrđena adresa e-pošte na uchicago.edu
TJ LaneGroup Leader, DESYPotvrđena adresa e-pošte na desy.de
Li-Qing ChenUniversity of Illinois at Urbana-ChampaignPotvrđena adresa e-pošte na illinois.edu
Jiming ChenUniversity of Illinois at Urbana-ChampaignPotvrđena adresa e-pošte na illinois.edu
Diego Eduardo KleimanPh.D. Student, University of Illinois at Urbana-ChampaignPotvrđena adresa e-pošte na illinois.edu
Song YinPh.D. Candidate, University of Illinois at Urbana-ChampaignPotvrđena adresa e-pošte na illinois.edu
Xiao SuUniversity of Illinois at Urbana-ChampaignPotvrđena adresa e-pošte na illinois.edu
Prateek BansalPhD Candidate, University of Illinois Urbana ChampaignPotvrđena adresa e-pošte na illinois.edu

Prati

Diwakar Shukla

Associate Professor, University of Illinois at Urbana-Champaign

Potvrđena adresa e-pošte na illinois.edu - Početna stranica

Chemical Engineering Physical Chemistry Biophysics Computational Biology


Naslov Poredaj po navodima Poredaj po godini Poredaj po naslovu	Citirano Citirano	Godina
OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation PK Eastman, MS Friedrichs, JD Chodera, RJ Radmer, CM Bruns, JP Ku, ... Journal of Chemical Theory and Computation, 2013	741	2013
Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways KJ Kohlhoff, D Shukla, M Lawrenz, GR Bowman, DE Konerding, D Belov, ... Nature chemistry 6 (1), 15-21, 2014	459	2014
To milliseconds and beyond: challenges in the simulation of protein folding TJ Lane, D Shukla, KA Beauchamp, VS Pande Current opinion in structural biology 23 (1), 58-65, 2013	455	2013
Activation pathway of Src kinase reveals intermediate states as targets for drug design D Shukla, Y Meng, B Roux, VS Pande Nature communications 5 (1), 3397, 2014	377	2014
Markov state models provide insights into dynamic modulation of protein function D Shukla, CX Hernández, JK Weber, VS Pande Accounts of chemical research 48 (2), 414-422, 2015	266	2015
Interaction of arginine with proteins and the mechanism by which it inhibits aggregation D Shukla, BL Trout The Journal of Physical Chemistry B 114 (42), 13426-13438, 2010	255	2010
Arginine and the Hofmeister series: the role of ion–ion interactions in protein aggregation suppression CP Schneider, D Shukla, BL Trout The Journal of Physical Chemistry B 115 (22), 7447-7458, 2011	179	2011
Degradation of complex arabinoxylans by human colonic Bacteroidetes GV Pereira, AM Abdel-Hamid, S Dutta, CN D’Alessandro-Gabazza, ... Nature Communications 12 (1), 459, 2021	130	2021
Crops In Silico: Generating Virtual Crops Using an Integrative and Multi-scale Modeling Platform A Marshall-Colon, SP Long, DK Allen, G Allen, DA Beard, B Benes, ... Frontiers in plant science 8, 786, 2017	129	2017
Reinforcement learning based adaptive sampling: REAPing rewards by exploring protein conformational landscapes Z Shamsi, KJ Cheng, D Shukla The Journal of Physical Chemistry B 122 (35), 8386-8395, 2018	117	2018
Dynamic-template-directed multiscale assembly for large-area coating of highly-aligned conjugated polymer thin films E Mohammadi, C Zhao, Y Meng, G Qu, F Zhang, X Zhao, J Mei, JM Zuo, ... Nature communications 8 (1), 16070, 2017	103	2017
Molecular level insight into intra-solvent interaction effects on protein stability and aggregation D Shukla, CP Schneider, BL Trout Advanced drug delivery reviews 63 (13), 1074-1085, 2011	103	2011
The shape of water in zeolites and its impact on epoxidation catalysis DT Bregante, MC Chan, JZ Tan, EZ Ayla, CP Nicholas, D Shukla, ... Nature Catalysis 4 (9), 797-808, 2021	98	2021
Molecular computations of preferential interaction coefficients of proteins D Shukla, C Shinde, BL Trout The Journal of Physical Chemistry B 113 (37), 12546-12554, 2009	97	2009
Understanding the synergistic effect of arginine and glutamic acid mixtures on protein solubility D Shukla, BL Trout The Journal of Physical Chemistry B 115 (41), 11831-11839, 2011	95	2011
Transition path theory analysis of c-Src kinase activation Y Meng, D Shukla, VS Pande, B Roux Proceedings of the National Academy of Sciences 113 (33), 9193-9198, 2016	78	2016
Engineered ACE2 decoy mitigates lung injury and death induced by SARS-CoV-2 variants L Zhang, S Dutta, S Xiong, M Chan, KK Chan, TM Fan, KL Bailey, ... Nature chemical biology 18 (3), 342-351, 2022	75	2022
Conformational heterogeneity of the calmodulin binding interface D Shukla, A Peck, VS Pande Nature communications 7 (1), 10910, 2016	72	2016
Preferential interaction coefficients of proteins in aqueous arginine solutions and their molecular origins D Shukla, BL Trout The Journal of Physical Chemistry B 115 (5), 1243-1253, 2011	67	2011
Cloud computing approaches for prediction of ligand binding poses and pathways M Lawrenz, D Shukla, VS Pande Scientific reports 5 (1), 7918, 2015	64	2015

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