Results 31 to 40 of about 2,066,004 (263)
CoRR, 2018 We review algorithms for protein design in general. Although these algorithms have a rich combinatorial, geometric, and mathematical structure, they are almost never covered in computer science classes. Furthermore, many of these algorithms admit provable guarantees of accuracy, soundness, complexity, completeness, optimality, and approximation bounds.
Mark A. Hallen, Bruce Randall Donald
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Computational protein design [PDF]
Current Opinion in Chemical Biology, 2001 The field of computational protein design is reaching its adolescence. Protein design algorithms have been applied to design or engineer proteins that fold, fold faster, catalyze, catalyze faster, signal, and adopt preferred conformational states. Further developments of scoring functions, sampling strategies, and optimization methods will expand the ...
C M, Kraemer-Pecore +2 more
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mAbs, 2020 Antibody variable domains contain “complementarity-determining regions” (CDRs), the loops that form the antigen binding site. CDRs1-3 are recognized as the canonical CDRs.
Simon P. Kelow +2 more
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Complex network analysis of thermostable mutants of Bacillus subtilis Lipase A
Applied Network Science, 2017 Three-dimensional structures of proteins that regulate their functions can be modelled using complex network based approaches for understanding the structure-function relationship.
Nitika Kandhari, Somdatta Sinha
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De novo design of a macrocycle-induced dimerization system for cellular control
Nature CommunicationsInvestigating and manipulating cellular events requires precise control of protein function. To enable control over cellular processes, we set out to design a chemically induced dimerization (CID) system consisting of a de novo-designed ligand and ...
Stephanie Hanna +14 more
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Pediatric Blood &Cancer, EarlyView.ABSTRACT We assessed the effect of iron overload (IO) on mortality and complications following hematopoietic stem cell transplantation (HSCT) in patients with Diamond–Blackfan anemia syndrome (DBAS) in a systematic review of individual participant data and cohort data from observational studies.
Geoffrey Z. L. Kuppens +6 more
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Protein Evolution and Design [PDF]
Annual Review of Biochemistry, 2018 This article introduces the Protein Evolution and Design theme of the Annual Review of Biochemistry Volume 87.
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Designed Spiroketal Protein Modulation [PDF]
Angewandte Chemie International Edition, 2017 AbstractSpiroketals are structural motifs found in many biologically active natural products, which has stimulated considerable efforts toward their synthesis and interest in their use as drug lead compounds. Despite this, the use of spiroketals, and especially bisbenzanulated spiroketals, in a structure‐based drug discovery setting has not been ...
Scheepstra, Marcel +7 more
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Cyclic peptide structure prediction and design using AlphaFold2
Nature CommunicationsSmall cyclic peptides have gained significant traction as a therapeutic modality; however, the development of deep learning methods for accurately designing such peptides has been slow, mostly due to the lack of sufficiently large training sets. Here, we
Stephen A. Rettie +16 more
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Computational Design of Epitope-Specific Functional Antibodies
Cell Reports, 2018 Summary: The ultimate goal of protein design is to introduce new biological activity. We propose a computational approach for designing functional antibodies by focusing on functional epitopes, integrating large-scale statistical analysis with multiple ...
Guy Nimrod +14 more
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