Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations von Clark, Anthony J, Tiwary, Pratyush, Borrelli, Ken, Feng, Shulu, Miller, Edward B, Abel, Robert, Friesner, Richard A, Berne, B. J

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Free Energy Perturbation Calculation of Relative Binding Free Energy between Broadly Neutralizing Antibodies and the gp120 Glycoprotein of HIV-1 von 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.

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Effects of Surface Pressure on the Properties of Langmuir Monolayers and Interfacial Water at the Air–Water Interface von Lin, Wei, Clark, Anthony J, Paesani, Francesco

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Evaluation of the potential food allergy risks of human lactoferrin expressed in Komagataella phaffii von 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

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Gamete Nuclear Migration in Animals and Plants von Fatema, Umma, Ali, Mohammad F, Hu, Zheng, Clark, Anthony J, Kawashima, Tomokazu

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Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein–Protein Interfaces von Clark, Anthony J., Negron, Christopher, Hauser, Kevin, Sun, Mengzhen, Wang, Lingle, Abel, Robert, Friesner, Richard A.

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Evolving Controllers for a Transformable Wheel Mobile Robot von Clark, Anthony J., Moore, Jared M., Cissell, Keith A.

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Insights into the molecular evolution of fertilization mechanism in land plants von Sharma, Vijyesh, Clark, Anthony J., Kawashima, Tomokazu

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A review of the safety evidence on recombinant human lactoferrin for use as a food ingredient von Vishwanath-Deutsch, Roma, Dallas, David C., Besada-Lombana, Pamela, Katz, Laura, Conze, Dietrich, Kruger, Claire, Clark, Anthony J., Peterson, Ross, Malinczak, Carrie-Anne

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Reliable and Accurate Prediction of Single-Residue pKa Values through Free Energy Perturbation Calculations von Coskun, Dilek, Chen, Wei, Clark, Anthony J, Lu, Chao, Harder, Edward D, Wang, Lingle, Friesner, Richard A, Miller, Edward B

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Identification of the Precursor of (S)-3-Methyl-3-sulfanylhexan-1-ol, the Sulfury Malodour of Human Axilla Sweat von Starkenmann, Christian, Niclass, Yvan, Troccaz, Myriam, Clark, Anthony J.

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Characterization of recombinant human lactoferrin expressed in Komagataella phaffii von 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

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AutoDesigner - Core Design, a De Novo Design Algorithm for Chemical Scaffolds: Application to the Design and Synthesis of Novel Selective Wee1 Inhibitors von 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

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Properties of Recombinant Staphylococcus haemolyticus Cystathionine β-Lyase (metC) and Its Potential Role in the Generation of Volatile Thiols in Axillary Malodor von Troccaz, Myriam, Benattia, Faiza, Borchard, Gerrit, Clark, Anthony J.

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Reliable and Accurate Prediction of Single-Residue p K a Values through Free Energy Perturbation Calculations von Coskun, Dilek, Chen, Wei, Clark, Anthony J, Lu, Chao, Harder, Edward D, Wang, Lingle, Friesner, Richard A, Miller, Edward B

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Four-Week GLP Immunotoxicity Assessment of Lactoferrin Alpha Produced by Komagataella phaffii in Sprague-Dawley Rats von Peterson, Ross, Crawford, Robert B, Blevins, Lance K, Kaminski, Norbert E, Clark, Anthony J, Malinczak, Carrie-Anne

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3-Methyl-3-sulfanylhexan-1-ol as a Major Descriptor for the Human Axilla-Sweat Odour Profile von Troccaz, Myriam, Starkenmann, Christian, Niclass, Yvan, van de Waal, Matthijs, Clark, Anthony J.

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Dose Range-Finding Toxicity Study in Rats With Recombinant Human Lactoferrin Produced in Komagataella phaffii von Peterson, Ross, Crawford, Robert B., Blevins, Lance K., Kaminski, Norbert E., Sass, June S., Ferraro, Bryce, Vishwanath-Deutsch, Roma, Clark, Anthony J., Malinczak, Carrie-Anne

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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 von Peterson, Ross D, Guarneiri, Liana L, Adams, Caryn G, Wilcox, Meredith L, Clark, Anthony J, Rudemiller, Nathan P, Maki, Kevin C, Malinczak, Carrie-Anne

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Evolutionary multiobjective design of a flexible caudal fin for robotic fish von Clark, Anthony J, Tan, Xiaobo, McKinley, Philip K

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