Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy RA Friesner, JL Banks, RB Murphy, TA Halgren, JJ Klicic, DT Mainz, ...
Journal of medicinal chemistry 47 (7), 1739-1749, 2004
9305 2004 Remdesivir is a direct-acting antiviral that inhibits RNA-dependent RNA polymerase from severe acute respiratory syndrome coronavirus 2 with high potency CJ Gordon, EP Tchesnokov, E Woolner, JK Perry, JY Feng, DP Porter, ...
Journal of Biological Chemistry 295 (20), 6785-6797, 2020
947 2020 Discovery and Synthesis of a Phosphoramidate Prodrug of a Pyrrolo[2,1-f ][triazin-4-amino] Adenine C -Nucleoside (GS-5734) for the Treatment of Ebola and … D Siegel, HC Hui, E Doerffler, MO Clarke, K Chun, L Zhang, S Neville, ...
Journal of medicinal chemistry 60 (5), 1648-1661, 2017
757 2017 Remdesivir inhibits SARS-CoV-2 in human lung cells and chimeric SARS-CoV expressing the SARS-CoV-2 RNA polymerase in mice AJ Pruijssers, AS George, A Schäfer, SR Leist, LE Gralinksi, KH Dinnon, ...
Cell reports 32 (3), 2020
485 2020 Structural basis for RNA replication by the hepatitis C virus polymerase TC Appleby, JK Perry, E Murakami, O Barauskas, J Feng, A Cho, D Fox III, ...
Science 347 (6223), 771-775, 2015
330 2015 Discovery of ledipasvir (GS-5885): a potent, once-daily oral NS5A inhibitor for the treatment of hepatitis C virus infection JO Link, JG Taylor, L Xu, M Mitchell, H Guo, H Liu, D Kato, T Kirschberg, ...
Journal of medicinal chemistry 57 (5), 2033-2046, 2014
314 2014 Antiferromagnetic band structure of Becke-3–Lee-Yang-Parr calculations JK Perry, J Tahir-Kheli, WA Goddard III
Physical Review B 63 (14), 144510, 2001
158 2001 Discovery of the First C -Nucleoside HCV Polymerase Inhibitor (GS-6620) with Demonstrated Antiviral Response in HCV Infected Patients A Cho, L Zhang, J Xu, R Lee, T Butler, S Metobo, V Aktoudianakis, W Lew, ...
Journal of medicinal chemistry 57 (5), 1812-1825, 2014
156 2014 Template-dependent inhibition of coronavirus RNA-dependent RNA polymerase by remdesivir reveals a second mechanism of action EP Tchesnokov, CJ Gordon, E Woolner, D Kocinkova, JK Perry, JY Feng, ...
Journal of Biological Chemistry 295 (47), 16156-16165, 2020
142 2020 Sensitivity of mitochondrial transcription and resistance of RNA polymerase II dependent nuclear transcription to antiviral ribonucleosides JJ Arnold, SD Sharma, JY Feng, AS Ray, ED Smidansky, ML Kireeva, ...
PLoS pathogens 8 (11), e1003030, 2012
140 2012 RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information TA Kirschberg, M Balakrishnan, NH Squires, T Barnes, KM Brendza, ...
Journal of medicinal chemistry 52 (19), 5781-5784, 2009
121 2009 Mutations in the SARS-CoV-2 RNA-dependent RNA polymerase confer resistance to remdesivir by distinct mechanisms LJ Stevens, AJ Pruijssers, HW Lee, CJ Gordon, EP Tchesnokov, J Gribble, ...
Science translational medicine 14 (656), eabo0718, 2022
118 2022 Molecular complexes of small alkanes with cobalt (1+) JK Perry, G Ohanessian, WA Goddard III
The Journal of physical chemistry 97 (20), 5238-5245, 1993
108 1993 Advanced initial-guess algorithm for self-consistent-field calculations on organometallic systems G Vacek, JK Perry, JM Langlois
Chemical physics letters 310 (1-2), 189-194, 1999
105 1999 Mechanism and energetics for dehydrogenation of methane by gaseous iridium ions JK Perry, G Ohanessian, WA Goddard III
Organometallics 13 (5), 1870-1877, 1994
99 1994 Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N -Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors EB Lansdon, Q Liu, SA Leavitt, M Balakrishnan, JK Perry, ...
Antimicrobial agents and chemotherapy 55 (6), 2905-2915, 2011
94 2011 Identification and optimization of pteridinone Toll-like receptor 7 (TLR7) agonists for the oral treatment of viral hepatitis PA Roethle, RM McFadden, H Yang, P Hrvatin, H Hui, M Graupe, ...
Journal of medicinal chemistry 56 (18), 7324-7333, 2013
85 2013 Phosphonate inhibitors of HCV CG Boojamra, JM Chen, AX Huang, CU Kim, KY Lin, RL Mackman, ...
US Patent 7,842,672, 2010
85 2010 Role of mitochondrial RNA polymerase in the toxicity of nucleotide inhibitors of hepatitis C virus JY Feng, Y Xu, O Barauskas, JK Perry, S Ahmadyar, G Stepan, H Yu, ...
Antimicrobial agents and chemotherapy 60 (2), 806-817, 2016
81 2016 Theoretical studies of a hydrogen abstraction tool for nanotechnology CB Musgrave, JK Perry, RC Merkle, WA Goddard
Nanotechnology 2 (4), 187, 1991
74 1991