Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations
Clark, Anthony J, Tiwary, Pratyush, Borrelli, Ken, Feng, Shulu, Miller, Edward B, Abel, Robert, Friesner, Richard A, Berne, B. J
Published in Journal of chemical theory and computation (14.06.2016)
Published in Journal of chemical theory and computation (14.06.2016)
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Journal Article
Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein–Protein Interfaces
Clark, Anthony J., Negron, Christopher, Hauser, Kevin, Sun, Mengzhen, Wang, Lingle, Abel, Robert, Friesner, Richard A.
Published in Journal of molecular biology (29.03.2019)
Published in Journal of molecular biology (29.03.2019)
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Journal Article
Free Energy Perturbation Calculation of Relative Binding Free Energy between Broadly Neutralizing Antibodies and the gp120 Glycoprotein of HIV-1
Clark, Anthony J., Gindin, Tatyana, Zhang, Baoshan, Wang, Lingle, Abel, Robert, Murret, Colleen S., Xu, Fang, Bao, Amy, Lu, Nina J., Zhou, Tongqing, Kwong, Peter D., Shapiro, Lawrence, Honig, Barry, Friesner, Richard A.
Published in Journal of molecular biology (07.04.2017)
Published in Journal of molecular biology (07.04.2017)
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Journal Article
Insights into the molecular evolution of fertilization mechanism in land plants
Sharma, Vijyesh, Clark, Anthony J., Kawashima, Tomokazu
Published in Plant reproduction (01.12.2021)
Published in Plant reproduction (01.12.2021)
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Journal Article
A review of the safety evidence on recombinant human lactoferrin for use as a food ingredient
Vishwanath-Deutsch, Roma, Dallas, David C., Besada-Lombana, Pamela, Katz, Laura, Conze, Dietrich, Kruger, Claire, Clark, Anthony J., Peterson, Ross, Malinczak, Carrie-Anne
Published in Food and chemical toxicology (01.07.2024)
Published in Food and chemical toxicology (01.07.2024)
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Journal Article
Reliable and Accurate Prediction of Single-Residue pKa Values through Free Energy Perturbation Calculations
Coskun, Dilek, Chen, Wei, Clark, Anthony J, Lu, Chao, Harder, Edward D, Wang, Lingle, Friesner, Richard A, Miller, Edward B
Published in Journal of chemical theory and computation (13.12.2022)
Published in Journal of chemical theory and computation (13.12.2022)
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Journal Article
Research to improve community warnings for bushfire
Whittaker, Joshua, Clark, Anthony
Published in Australian journal of emergency management (01.01.2021)
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Published in Australian journal of emergency management (01.01.2021)
Journal Article
AutoDesigner - Core Design, a De Novo Design Algorithm for Chemical Scaffolds: Application to the Design and Synthesis of Novel Selective Wee1 Inhibitors
Bos, Pieter H., Ranalli, Fabio, Flood, Emelie, Watts, Shawn, Inoyama, Daigo, Knight, Jennifer L., Clark, Anthony J., Placzeck, Andrew, Wang, Jiashi, Gerasyuto, Aleksey I., Silvergleid, Sarah, Yin, Wu, Sun, Shaoxian, Abel, Robert, Bhat, Sathesh
Published in Journal of chemical information and modeling (14.10.2024)
Published in Journal of chemical information and modeling (14.10.2024)
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Journal Article
Characterization of recombinant human lactoferrin expressed in Komagataella phaffii
Lu, Xiaoning, Cummings, Chad, Osuala, Udodili A, Yennawar, Neela H, Namitz, Kevin E W, Hellner, Brittney, Besada-Lombana, Pamela B, Peterson, Ross D, Clark, Anthony J
Published in Analyst (London) (24.06.2024)
Published in Analyst (London) (24.06.2024)
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Journal Article
Reliable and Accurate Prediction of Single-Residue p K a Values through Free Energy Perturbation Calculations
Coskun, Dilek, Chen, Wei, Clark, Anthony J, Lu, Chao, Harder, Edward D, Wang, Lingle, Friesner, Richard A, Miller, Edward B
Published in Journal of chemical theory and computation (13.12.2022)
Published in Journal of chemical theory and computation (13.12.2022)
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Journal Article
Evaluation of the potential food allergy risks of human lactoferrin expressed in Komagataella phaffii
Anaya, Yanisa, Rosario Martinez, Raysa, Goodman, Richard E, Johnson, Philip, Vajpeyi, Shashwat, Lu, Xiaoning, Peterson, Ross, Weyers, Sarah M, Breen, Bella, Newsham, Kahler, Scottoline, Brian, Clark, Anthony J, Malinczak, Carrie-Anne
Published in Frontiers in immunology (24.07.2024)
Published in Frontiers in immunology (24.07.2024)
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Journal Article
Redirection of cytosolic or plastidic isoprenoid precursors elevates terpene production in plants
Wu, S, Schalk, M, Clark, A, Miles, R.B, Coates, R, Chappell, J
Published in Nature biotechnology (01.11.2006)
Published in Nature biotechnology (01.11.2006)
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Journal Article
The Association of Preoperative Hematocrit and Transfusion with Mortality in Patients Undergoing Elective Non-cardiac Surgery
Gabriel, Rodney A., Clark, Anthony I., Nguyen, Albert P., Waterman, Ruth S., Schmidt, Ulrich H.
Published in World journal of surgery (01.07.2018)
Published in World journal of surgery (01.07.2018)
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Journal Article