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Coevolved Canonical Loops Conformations of Single-Domain Antibodies: A Tale of Three Pockets Playing Musical Chairs.
- Published in:
- Frontiers in Immunology, 2022, v. 13, p. 1, doi. 10.3389/fimmu.2022.884132
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- Article
Toward a Computational Tool Predicting the Stereochemical Outcome of Asymmetric Reactions: Development and Application of a Rapid and Accurate Program Based on Organic Principles.
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- Angewandte Chemie International Edition, 2008, v. 47, n. 14, p. 2635, doi. 10.1002/anie.200704774
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- Article
Desymmetrization in geometry optimization: application to an ab initio study of copper(I) hydration.
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- Pure & Applied Chemistry, 2020, v. 92, n. 10, p. 1643, doi. 10.1515/pac-2019-1118
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- Article
An accurate TMT-based approach to quantify and model lysine susceptibility to conjugation via N-hydroxysuccinimide esters in a monoclonal antibody.
- Published in:
- Scientific Reports, 2018, v. 8, n. 1, p. 1, doi. 10.1038/s41598-018-35924-0
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- Article
Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 1, p. 143, doi. 10.1007/s10822-017-0071-0
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- Article
Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge.
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- Journal of Computer-Aided Molecular Design, 2010, v. 24, n. 4, p. 373, doi. 10.1007/s10822-010-9341-9
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- Article
Toward a computational tool predicting the stereochemical outcome of asymmetric reactions: Development of the molecular mechanics-based program ACE and application to asymmetric epoxidation reactions.
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- Journal of Computational Chemistry, 2011, v. 32, n. 13, p. 2878, doi. 10.1002/jcc.21869
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- Article
Antibody mutations favoring pH‐dependent binding in solid tumor microenvironments: Insights from large‐scale structure‐based calculations.
- Published in:
- Proteins, 2022, v. 90, n. 8, p. 1538, doi. 10.1002/prot.26340
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- Article
Evaluation of docking programs for predicting binding of Golgi α-mannosidase II inhibitors: A comparison with crystallography.
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- Proteins, 2007, v. 69, n. 1, p. 160, doi. 10.1002/prot.21479
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- Article
Assisted Design of Antibody and Protein Therapeutics (ADAPT).
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- PLoS ONE, 2017, v. 12, n. 7, p. 1, doi. 10.1371/journal.pone.0181490
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- Article
Redesigning an antibody H3 loop by virtual screening of a small library of human germline-derived sequences.
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- Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-00669-w
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- Article
Enhanced antibody-antigen structure prediction from molecular docking using AlphaFold2.
- Published in:
- Scientific Reports, 2023, v. 13, n. 1, p. 1, doi. 10.1038/s41598-023-42090-5
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- Article
An ab initio investigation of scandium chloro complexes.
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- Canadian Journal of Chemistry, 2002, v. 80, n. 10, p. 1331, doi. 10.1139/v02-168
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- Article