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
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
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
Gamete Nuclear Migration in Animals and Plants
Fatema, Umma, Ali, Mohammad F, Hu, Zheng, Clark, Anthony J, Kawashima, Tomokazu
Published in Frontiers in plant science (24.04.2019)
Published in Frontiers in plant science (24.04.2019)
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Journal Article
Evolving Controllers for a Transformable Wheel Mobile Robot
Clark, Anthony J., Moore, Jared M., Cissell, Keith A.
Published in Complexity (New York, N.Y.) (01.01.2018)
Published in Complexity (New York, N.Y.) (01.01.2018)
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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
Properties of Recombinant Staphylococcus haemolyticus Cystathionine β-Lyase (metC) and Its Potential Role in the Generation of Volatile Thiols in Axillary Malodor
Troccaz, Myriam, Benattia, Faiza, Borchard, Gerrit, Clark, Anthony J.
Published in Chemistry & biodiversity (01.11.2008)
Published in Chemistry & biodiversity (01.11.2008)
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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
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
A Randomized, Double-Blind, Controlled Trial to Assess the Effects of Lactoferrin at Two Doses vs. Active Control on Immunological and Safety Parameters in Healthy Adults
Peterson, Ross D, Guarneiri, Liana L, Adams, Caryn G, Wilcox, Meredith L, Clark, Anthony J, Rudemiller, Nathan P, Maki, Kevin C, Malinczak, Carrie-Anne
Published in International journal of toxicology (28.10.2024)
Published in International journal of toxicology (28.10.2024)
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Journal Article
Evolutionary multiobjective design of a flexible caudal fin for robotic fish
Clark, Anthony J, Tan, Xiaobo, McKinley, Philip K
Published in Bioinspiration & biomimetics (25.11.2015)
Published in Bioinspiration & biomimetics (25.11.2015)
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Journal Article
Virion stability and aphid vector transmissibility of Cucumber mosaic virus mutants
Ng, James C.K., Josefsson, Caroline, Clark, Anthony J., Franz, Alexander W.E., Perry, Keith L.
Published in Virology (New York, N.Y.) (05.02.2005)
Published in Virology (New York, N.Y.) (05.02.2005)
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Journal Article