H. Lee Woodcock

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	Hepsi	2020 yılından bugüne
Alıntılar	21319	9773
h-endeksi	38	24
i10-endeksi	71	54

2100

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2007200820092010201120122013201420152016201720182019202020212022202320242025130 207 282 530 713 867 951 1098 1184 1298 1270 1380 1434 1652 1906 1890 1974 2048 294

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6 makale

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Katkıda bulunan yazarlar

Bernard R. BrooksNIH NHLBInih.gov üzerinde doğrulanmış e-posta adresine sahip
Phillip HudsonPfizerpfizer.com üzerinde doğrulanmış e-posta adresine sahip
Benjamin T MillerStaff Scientist, National Heart, Lung, and Blood Insititutenhlbi.nih.gov üzerinde doğrulanmış e-posta adresine sahip
Michael F CrowleyPrincipal Scientist, National Renewable Energy Laboratorynrel.gov üzerinde doğrulanmış e-posta adresine sahip
John N KuhnUniversity of South Floridausf.edu üzerinde doğrulanmış e-posta adresine sahip
M.A. Barakat1. King Abdullaziz University (KAU), 2. Central Metallurgical R&D Institute, Egyptkau.edu.sa üzerinde doğrulanmış e-posta adresine sahip
Gregg T. BeckhamNational Renewable Energy Laboratorynrel.gov üzerinde doğrulanmış e-posta adresine sahip
Henry F. Schaefer IIIProfessor of Chemistry, University of Georgiauga.edu üzerinde doğrulanmış e-posta adresine sahip
Nicholas A RorrerNational Renewable Energy Laboratorynrel.gov üzerinde doğrulanmış e-posta adresine sahip
Harry AustinUniversity of Portsmouthport.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Christopher W. JohnsonNational Renewable Energy Laboratorynrel.gov üzerinde doğrulanmış e-posta adresine sahip
Justin K WhiteUniversity of South Floridamail.usf.edu üzerinde doğrulanmış e-posta adresine sahip
Yihan ShaoUniversity of Oklahomaou.edu üzerinde doğrulanmış e-posta adresine sahip
Rodrigo L SilveiraInstitute of Chemistry - Federal University of Rio de Janeiroiq.ufrj.br üzerinde doğrulanmış e-posta adresine sahip
Jeffery B. KlaudaProfessor of Chemical Engineering, University of Marylandumd.edu üzerinde doğrulanmış e-posta adresine sahip
Jing KongMiddle Tennessee State Universitymtsu.edu üzerinde doğrulanmış e-posta adresine sahip
M A Alghamdiking Abdulaziz Universitykau.edu.sa üzerinde doğrulanmış e-posta adresine sahip
Edina RostaUniversity College Londonucl.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Wenjun ZhengProfessor of Physics, University at Buffalo, SUNYbuffalo.edu üzerinde doğrulanmış e-posta adresine sahip
Gerhard HummerMax Planck Institute of Biophysicsbiophys.mpg.de üzerinde doğrulanmış e-posta adresine sahip

Takip et

H. Lee Woodcock

Professor of Chemistry, University of South Florida

usf.edu üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

Computational Chemistry/Biophysics


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
CHARMM: the biomolecular simulation program BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ... Journal of computational chemistry 30 (10), 1545-1614, 2009	9316	2009
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015	3240	2015
Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006	3075	2006
Characterization and engineering of a plastic-degrading aromatic polyesterase HP Austin, MD Allen, BS Donohoe, NA Rorrer, FL Kearns, RL Silveira, ... Proceedings of the National Academy of Sciences 115 (19), E4350-E4357, 2018	1013	2018
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021	910	2021
Characterization and engineering of a two-enzyme system for plastics depolymerization BC Knott, E Erickson, MD Allen, JE Gado, R Graham, FL Kearns, I Pardo, ... Proceedings of the National Academy of Sciences 117 (41), 25476-25485, 2020	446	2020
Interfacing Q‐Chem and CHARMM to perform QM/MM reaction path calculations HL Woodcock III, M Hodošček, ATB Gilbert, PMW Gill, HF Schaefer III, ... Journal of computational chemistry 28 (9), 1485-1502, 2007	227	2007
Problematic energy differences between cumulenes and poly-ynes: Does this point to a systematic improvement of density functional theory? HL Woodcock, HF Schaefer, PR Schreiner The Journal of Physical Chemistry A 106 (49), 11923-11931, 2002	198	2002
CHARMMing: a new, flexible web portal for CHARMM BT Miller, RP Singh, JB Klauda, M Hodoscek, BR Brooks, HL Woodcock Iii Journal of chemical information and modeling 48 (9), 1920-1929, 2008	155	2008
Multiscale free energy simulations: an efficient method for connecting classical MD simulations to QM or QM/MM free energies using non-Boltzmann Bennett reweighting schemes G König, PS Hudson, S Boresch, HL Woodcock Journal of chemical theory and computation 10 (4), 1406-1419, 2014	139	2014
EDTA functionalized silica for removal of Cu (II), Zn (II) and Ni (II) from aqueous solution R Kumar, MA Barakat, YA Daza, HL Woodcock, JN Kuhn Journal of colloid and interface science 408, 200-205, 2013	128	2013
Exploring the quantum mechanical/molecular mechanical replica path method: a pathway optimization of the chorismate to prephenate Claisen rearrangement catalyzed by chorismate … H Lee Woodcock, M Hodošček, P Sherwood, YS Lee, HF Schaefer Iii, ... Theoretical Chemistry Accounts 109, 140-148, 2003	122	2003
Remediation of Cu (II), Ni (II), and Cr (III) ions from simulated wastewater by dendrimer/titania composites MA Barakat, MH Ramadan, MA Alghamdi, SS Algarny, HL Woodcock, ... Journal of environmental management 117, 50-57, 2013	105	2013
Artificial reaction coordinate “tunneling” in free‐energy calculations: The catalytic reaction of RNase H E Rosta, HL Woodcock, BR Brooks, G Hummer Journal of computational chemistry 30 (11), 1634-1641, 2009	105	2009
Catalytic asymmetric aza-Darzens reaction with a vaulted biphenanthrol magnesium phosphate salt SE Larson, G Li, GB Rowland, D Junge, R Huang, HL Woodcock, ... Organic letters 13 (9), 2188-2191, 2011	104	2011
Characterization of tunable radical metal–carbenes: key intermediates in catalytic cyclopropanation JL Belof, CR Cioce, X Xu, XP Zhang, B Space, HL Woodcock Organometallics 30 (10), 2739-2746, 2011	88	2011
Ligand-induced proton transfer and low-barrier hydrogen bond revealed by X-ray crystallography DA Nichols, JC Hargis, R Sanishvili, P Jaishankar, K Defrees, EW Smith, ... Journal of the American Chemical Society 137 (25), 8086-8095, 2015	87	2015
Exploring SCC-DFTB paths for mapping QM/MM reaction mechanisms HL Woodcock, M Hodošček, BR Brooks The Journal of Physical Chemistry A 111 (26), 5720-5728, 2007	87	2007
ProBiS-CHARMMing: web interface for prediction and optimization of ligands in protein binding sites J Konc, BT Miller, T Štular, S Lesnik, HL Woodcock, BR Brooks, ... Journal of chemical information and modeling 55 (11), 2308-2314, 2015	78	2015
Use of nonequilibrium work methods to compute free energy differences between molecular mechanical and quantum mechanical representations of molecular systems PS Hudson, HL Woodcock, S Boresch The Journal of Physical Chemistry Letters 6 (23), 4850-4856, 2015	75	2015

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