CRYSTALLOGRAPHY AND COMPUTATIONAL BIOSCIENCES SHARED RESOURCE Project Summary The Crystallography and Computational Biosciences Shared Resource (CCBSR) is a highly-specialized Resource that provides Wake Forest Baptist Comprehensive Cancer Center (WFBCCC) members with access to expertise, consultation, and state-of-the-art structural and computational biology approaches. The resulting data enhance ongoing, peer-reviewed projects and new funding applications. The CCBSR's scientific importance centers on the need to understand the structural basis for protein-protein, protein-DNA/RNA, and protein-ligand/drug interactions; and how dynamics affect these interactions. The use of the CCBSR has steadily increased, as have the depth and breadth of projects. From 2011?2015, the Co-Directors have worked with 27 laboratories from 11 departments (74% WFBCCC members; all with peer-reviewed funding) to publish 36 manuscripts, solve 9 new structures, perform experiments for 18 existing and newly-funded grants, and collect preliminary data for new funding applications. The CCBSR has three co-Directors (W. Todd Lowther, Ph.D.; Thomas Hollis, Ph.D.; Fred Salsbury, Ph.D.), each with different areas of scientific, experimental, and computational expertise. Therefore, after initial consultation, one or more of the Co-Directors assists the WFBCCC member with the development of their project, matching the project to the expertise of a specific Co- Director.
The Specific Aims of the CCBSR are to: 1) Determine the appropriate crystallography and/or computational approach for structural analysis of important biomolecules in cancer research; 2) Conduct initial crystallization trials or simulations to generate preliminary data for grant applications; and 3) Provide facilities and expertise for funded projects to determine the structure of important biomolecules in cancer research. The crystallography component is managed by the WFBCCC but also has institutional funding. The Co-Directors attend the quarterly WFBCCC Shared Resources meeting, which includes discussions on activity, best practices, enhanced capabilities, and administrative management techniques. These meetings provide an overview of operations, finances, and utilization, and facilitate regular evaluation by WFBCCC leadership.

National Institute of Health (NIH)
National Cancer Institute (NCI)
Center Core Grants (P30)
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Subcommittee I - Transistion to Independence (NCI)
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Wake Forest University Health Sciences
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Xiao, Jiajie; Melvin, Ryan L; Salsbury Jr, Freddie R (2018) Probing light chain mutation effects on thrombin via molecular dynamics simulations and machine learning. J Biomol Struct Dyn :1-18
Mao, Chengqiong; Zhao, Yan; Li, Fang et al. (2018) P-glycoprotein targeted and near-infrared light-guided depletion of chemoresistant tumors. J Control Release 286:289-300
Diaz-Garelli, Jose-Franck; Wells, Brian J; Yelton, Caleb et al. (2018) Biopsy Records Do Not Reduce Diagnosis Variability in Cancer Patient EHRs: Are We More Uncertain After Knowing? AMIA Jt Summits Transl Sci Proc 2017:72-80
Wang, Mingxuan; Chen, Haiqin; Ailati, Aisikaer et al. (2018) Substrate specificity and membrane topologies of the iron-containing ?3 and ?6 desaturases from Mortierella alpina. Appl Microbiol Biotechnol 102:211-223
Westcott, Marlena M; Clemens, Elene A; Holbrook, Beth C et al. (2018) The choice of linker for conjugating R848 to inactivated influenza virus determines the stimulatory capacity for innate immune cells. Vaccine 36:1174-1182
Ruiz, Jimmy; Miller, Antonius A; Tooze, Janet A et al. (2018) Frailty assessment predicts toxicity during first cycle chemotherapy for advanced lung cancer regardless of chronologic age. J Geriatr Oncol :
Levine, Edward A; Votanopoulos, Konstantinos I; Shen, Perry et al. (2018) A Multicenter Randomized Trial to Evaluate Hematologic Toxicities after Hyperthermic Intraperitoneal Chemotherapy with Oxaliplatin or Mitomycin in Patients with Appendiceal Tumors. J Am Coll Surg 226:434-443
Addington, Elizabeth L; Sohl, Stephanie J; Tooze, Janet A et al. (2018) Convenient and Live Movement (CALM) for women undergoing breast cancer treatment: Challenges and recommendations for internet-based yoga research. Complement Ther Med 37:77-79
Park, Sun H; Keller, Evan T; Shiozawa, Yusuke (2018) Bone Marrow Microenvironment as a Regulator and Therapeutic Target for Prostate Cancer Bone Metastasis. Calcif Tissue Int 102:152-162
Haas, Karen M; Johnson, Kristen L; Phipps, James P et al. (2018) CD22 Promotes B-1b Cell Responses to T Cell-Independent Type 2 Antigens. J Immunol 200:1671-1681

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