Comparison of the Dynamics of Substrate Access Channels in Three Cytochrome P450s Reveals Different Opening Mechanisms and a Novel Functional Role for a Buried Arginine von Winn, Peter J., Lüdemann, Susanna K., Gauges, Ralph, Lounnas, Valere, Wade, Rebecca C.

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Regulation of adenylyl cyclase 5 in striatal neurons confers the ability to detect coincident neuromodulatory signals von Bruce, Neil J, Narzi, Daniele, Trpevski, Daniel, van Keulen, Siri C, Nair, Anu G, Röthlisberger, Ursula, Wade, Rebecca C, Carloni, Paolo, Hellgren Kotaleski, Jeanette

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Combining hypothesis- and data-driven neuroscience modeling in FAIR workflows von Eriksson, Olivia, Bhalla, Upinder Singh, Blackwell, Kim T, Crook, Sharon M, Keller, Daniel, Kramer, Andrei, Linne, Marja-Leena, Saudargienė, Ausra, Wade, Rebecca C, Hellgren Kotaleski, Jeanette

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Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain von Keulen, Siri C., Martin, Juliette, Colizzi, Francesco, Frezza, Elisa, Trpevski, Daniel, Diaz, Nuria Cirauqui, Vidossich, Pietro, Rothlisberger, Ursula, Hellgren Kotaleski, Jeanette, Wade, Rebecca C., Carloni, Paolo

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How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanism... von Lüdemann, S K, Lounnas, V, Wade, R C

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Biomolecular diffusional association von Gabdoulline, Razif R., Wade, Rebecca C.

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Diffusional Encounter of Barnase and Barstar von Spaar, Alexander, Dammer, Christian, Gabdoulline, Razif R., Wade, Rebecca C., Helms, Volkhard

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A survey of active site access channels in cytochromes P450 von Wade, Rebecca C, Winn, Peter J, Schlichting, Ilme, Sudarko

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Protein-protein association: investigation of factors influencing association rates by Brownian dynamics simulations von Gabdoulline, Razif R., Wade, Rebecca C.

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Do mammalian cytochrome P450s show multiple ligand access pathways and ligand channelling? von Schleinkofer, Karin, Sudarko, Winn, Peter J, Lüdemann, Susanne K, Wade, Rebecca C

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Simulation of the diffusional association of barnase and barstar von Gabdoulline, R.R., Wade, R.C.

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Implicit solvent models for flexible protein-protein docking by molecular dynamics simulation von Wang, Ting, Wade, Rebecca C.

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How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways von Lüdemann, S K, Lounnas, V, Wade, R C

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How Optimal Are the Binding Energetics of Barnase and Barstar? von Wang, Ting, Tomic, Sanja, Gabdoulline, Razif R., Wade, Rebecca C.

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Comparative Binding Energy (COMBINE) Analysis of Influenza Neuraminidase−Inhibitor Complexes von Wang, Ting, Wade, Rebecca C

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Computer simulation of protein-protein association kinetics: acetylcholinesterase-fasciculin von Elcock, Adrian H, Gabdoulline, Razif R, Wade, Rebecca C, McCammon, J.Andrew

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Is it acupuncture or not? Testing acupuncture injection of vitamin K3 for dysmenorrhoea von Gorski, DH, Wade, RC

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Comparative Binding Energy (COMBINE) Analysis of OppA−Peptide Complexes to Relate Structure to Binding Thermodynamics von Wang, Ting, Wade, Rebecca C

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Force Field Effects on a β-Sheet Protein Domain Structure in Thermal Unfolding Simulations von Wang, Ting, Wade, Rebecca C

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Quantitative Analysis of Substrate Specificity of Haloalkane Dehalogenase LinB from Sphingomonas paucimobilis UT26 von Kmunícek, Jan, Hynková, Kamila, Jedlicka, Tomás, Nagata, Yuji, Negri, Ana, Gago, Federico, Wade, Rebecca C, Damborský, Jirí

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