Jeremy C Smith

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Loukas PetridisStaff Scientist, Oak Ridge National LaboratoryEmail verificata su ornl.gov
Roland SchulzIntelEmail verificata su rschulz.eu
Jerry M. ParksOak Ridge National LaboratoryEmail verificata su ornl.gov
Jerome BaudryMs. Pei-Ling Chan Endowed Chair and Professor. University of Alabama in HuntsvilleEmail verificata su uah.edu
Micholas Dean SmithThe University of Tennessee, Knoxville; UT/ORNL Center for Molecular BiophysicsEmail verificata su utk.edu
Xiaolin ChengProfessor, The Ohio State UniversityEmail verificata su osu.edu
Erik LindahlProfessor of Biophysics, Stockholm University & KTH, Science for Life LaboratoryEmail verificata su dbb.su.se
Berk HessKTH Royal Institute of Technology, Stockholm, Sweden; Science for Life Laboratory, Stockholm, SwedenEmail verificata su scilifelab.se
SAI VENKATESH PINGALIOak Ridge National LaboratoryEmail verificata su ornl.gov
Noe FrankMicrosoft ResearchEmail verificata su microsoft.com
Mark AbrahamVoxo ABEmail verificata su kth.se
Liang HongSchool of physics and astronomy & institute of natural sciences, shanghai jiao tong university,Email verificata su sjtu.edu.cn
Volker S. UrbanSection Head, Large Scale Structures, Oak Ridge National LaboratoryEmail verificata su ornl.gov
Ana-Nicoleta BondarUniversity of Bucharest, Faculty of PhysicsEmail verificata su fizica.unibuc.ro
Benoit RouxProfessor of Biochemistry, The university of ChicagoEmail verificata su uchicago.edu
Art Ragauskas; A.J. Ragauskas; Arthur...University of TennesseeEmail verificata su utk.edu
Hao-Bo GuoResearch Scientist, AFRL/UES (BlueHalo)Email verificata su us.af.mil
Szilárd PállResearcher, PDC KTH Royal Institute of TechnologyEmail verificata su kth.se
Isabella DaidoneUniversity of L'AquilaEmail verificata su univaq.it
LD QuarlesUTHSCEmail verificata su uthsc.edu

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Jeremy C Smith

University of Tennessee Knoxville

Email verificata su ornl.gov

molecular biophysics drug discovery Computer-aided drug design supercomputing neutron scattering


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl SoftwareX 1, 19-25, 2015	19261	2015
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins ^† AD MacKerell Jr, D Bashford, M Bellott, RL Dunbrack Jr, JD Evanseck, ... The journal of physical chemistry B 102 (18), 3586-3616, 1998	15731	1998
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit S Pronk, S Páll, R Schulz, P Larsson, P Bjelkmar, R Apostolov, MR Shirts, ... Bioinformatics 29 (7), 845-854, 2013	7603	2013
The genetic basis for bacterial mercury methylation JM Parks, A Johs, M Podar, R Bridou, RA Hurt Jr, SD Smith, ... Science 339 (6125), 1332-1335, 2013	1027	2013
Hierarchical analysis of conformational dynamics in biomolecules: Transition networks of metastable states F Noé, I Horenko, C Schütte, JC Smith The Journal of chemical physics 126 (15), 2007	473	2007
Is the first hydration shell of lysozyme of higher density than bulk water? F Merzel, JC Smith Proceedings of the National Academy of Sciences 99 (8), 5378-5383, 2002	461	2002
The role of dynamics in enzyme activity RM Daniel, RV Dunn, JL Finney, JC Smith Annual review of biophysics and biomolecular structure 32 (1), 69-92, 2003	452	2003
Ensemble docking in drug discovery RE Amaro, J Baudry, J Chodera, Ö Demir, JA McCammon, Y Miao, ... Biophysical journal 114 (10), 2271-2278, 2018	434	2018
Protein dynamics: comparison of simulations with inelastic neutron scattering experiments JC Smith Quarterly reviews of biophysics 24 (3), 227-291, 1991	418	1991
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers, SoftwareX. 1–2 (2015) 19–25 MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl	348	2015
Repurposing therapeutics for COVID-19: Supercomputer-based docking to the SARS-CoV-2 viral spike protein and viral spike protein-human ACE2 interface M Smith, JC Smith	330	2020
All-atom empirical potential for molecular modeling and dynamics studies of proteins AD MacKerrell, D Bashford, M Bellott, RL Dunbrack, JD Evanseck, ... J. Phys. Chem. B 102 (18), 3586-3616, 1998	325	1998
Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study B Roux, M Nina, R Pomes, JC Smith Biophysical journal 71 (2), 670-681, 1996	302	1996
GROMACS: High performance molecular simulations through This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. multi-level parallelism from laptops … MJ Abraham, T Murtola, R Schulz, S Páll, JC Smith, B Hess, E Lindahl So wareX 1 (2), 19-25, 2015	265	2015
Dual function of the hydration layer around an antifreeze protein revealed by atomistic molecular dynamics simulations DR Nutt, JC Smith Journal of the American Chemical Society 130 (39), 13066-13073, 2008	264	2008
Membrane protein structure, function, and dynamics: a perspective from experiments and theory Z Cournia, TW Allen, I Andricioaei, B Antonny, D Baum, G Brannigan, ... The Journal of membrane biology 248, 611-640, 2015	250	2015
Translational hydration water dynamics drives the protein glass transition AL Tournier, J Xu, JC Smith Biophysical Journal 85 (3), 1871-1875, 2003	249	2003
Common processes drive the thermochemical pretreatment of lignocellulosic biomass P Langan, L Petridis, HM O'Neill, SV Pingali, M Foston, Y Nishiyama, ... Green Chemistry 16 (1), 63-68, 2014	246	2014
Mechanism of lignin inhibition of enzymatic biomass deconstruction JV Vermaas, L Petridis, X Qi, R Schulz, B Lindner, JC Smith Biotechnology for biofuels 8, 1-16, 2015	245	2015
A Model for the Photosystem II Reaction Center Core Including the Structure of the Primary Donor P₆₈₀^, B Svensson, C Etchebest, P Tuffery, P Van Kan, J Smith, S Styring Biochemistry 35 (46), 14486-14502, 1996	238	1996

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