A Perspective on Water Site Prediction Methods for Structure Based Drug Design
Graves, Alan P, Wall, Ian D, Edge, Colin M, Woolven, James M, Cui, Guanglei, Le Gall, Armelle, Hong, Xuan, Raha, Kaushik, Manas, Eric S
Published in Current topics in medicinal chemistry (01.01.2017)
Published in Current topics in medicinal chemistry (01.01.2017)
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Decorating Self-Assembled Peptide Cages with Proteins
Ross, James F, Bridges, Angela, Fletcher, Jordan M, Shoemark, Deborah, Alibhai, Dominic, Bray, Harriet E. V, Beesley, Joseph L, Dawson, William M, Hodgson, Lorna R, Mantell, Judith, Verkade, Paul, Edge, Colin M, Sessions, Richard B, Tew, David, Woolfson, Derek N
Published in ACS nano (22.08.2017)
Published in ACS nano (22.08.2017)
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Application of the Hilbert−Huang Transform to the Analysis of Molecular Dynamics Simulations
Phillips, Stephen C, Gledhill, Robert J, Essex, Jonathan W, Edge, Colin M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.06.2003)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.06.2003)
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“Particle Informatics”: Advancing Our Understanding of Particle Properties through Digital Design
Bryant, Mathew J, Rosbottom, Ian, Bruno, Ian J, Docherty, Robert, Edge, Colin M, Hammond, Robert B, Peeling, Robert, Pickering, Jonathan, Roberts, Kevin J, Maloney, Andrew G. P
Published in Crystal growth & design (04.09.2019)
Published in Crystal growth & design (04.09.2019)
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Latonduine Analogs Restore F508del-Cystic Fibrosis Transmembrane Conductance Regulator Trafficking through the Modulation of Poly-ADP Ribose Polymerase 3 and Poly-ADP Ribose Polymerase 16 Activity
Carlile, Graeme W, Robert, Renaud, Matthes, Elizabeth, Yang, Qi, Solari, Roberto, Hatley, Richard, Edge, Colin M, Hanrahan, John W, Andersen, Raymond, Thomas, David Y, Birault, Véronique
Published in Molecular pharmacology (01.08.2016)
Published in Molecular pharmacology (01.08.2016)
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First global analysis of the GSK database of small molecule crystal structures
Kalash, Leen N, Cole, Jason C, Copley, Royston C. B, Edge, Colin M, Moldovan, Alexandru A, Sadiq, Ghazala, Doherty, Cheryl L
Published in CrystEngComm (28.08.2021)
Published in CrystEngComm (28.08.2021)
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Assessment of Nonequilibrium Free Energy Methods
Cossins, Benjamin P, Foucher, Sebastien, Edge, Colin M, Essex, Jonathan W
Published in The journal of physical chemistry. B (23.04.2009)
Published in The journal of physical chemistry. B (23.04.2009)
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Synthesis and evaluation of novel α-amino cyclic boronates as inhibitors of HCV NS3 protease
Li, Xianfeng, Zhang, Yong-Kang, Liu, Yang, Ding, Charles Z., Li, Qun, Zhou, Yasheen, Plattner, Jacob J., Baker, Stephen J., Qian, Xuelei, Fan, Dazhong, Liao, Liang, Ni, Zhi-Jie, White, Gemma V., Mordaunt, Jackie E., Lazarides, Linos X., Slater, Martin J., Jarvest, Richard L., Thommes, Pia, Ellis, Malcolm, Edge, Colin M., Hubbard, Julia A., Somers, Don, Rowland, Paul, Nassau, Pamela, McDowell, Bill, Skarzynski, Tadeusz J., Kazmierski, Wieslaw M., Grimes, Richard M., Wright, Lois L., Smith, Gary K., Zou, Wuxin, Wright, Jon, Pennicott, Lewis E.
Published in Bioorganic & medicinal chemistry letters (15.06.2010)
Published in Bioorganic & medicinal chemistry letters (15.06.2010)
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Protein−Ligand Binding Affinity by Nonequilibrium Free Energy Methods
Cossins, Benjamin P, Foucher, Sebastien, Edge, Colin M, Essex, Jonathan W
Published in The journal of physical chemistry. B (27.11.2008)
Published in The journal of physical chemistry. B (27.11.2008)
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Reversible Digitally Filtered Molecular Dynamics
Phillips, Stephen C, Swain, Martin T, Wiley, Adrian P, Essex, Jonathan W, Edge, Colin M
Published in The journal of physical chemistry. B (06.03.2003)
Published in The journal of physical chemistry. B (06.03.2003)
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Structure-directed discovery of an inhibitor of the binding of HIV GP120 to the CD4 receptor
Jarvest, Richard L., Breen, Ann L., Edge, Colin M., Chaikin, Margery A., John Jennings, L., Truneh, Alemseged, Sweet, Raymond W., Hertzberg, Robert P.
Published in Bioorganic & medicinal chemistry letters (01.12.1993)
Published in Bioorganic & medicinal chemistry letters (01.12.1993)
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