The Faculty of Mathematics and Natural Sciences: Search
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In Silico Facets of Biochemical Research: Accounts from Protein Folding and Protein-Ligand Interaction Studies
(2020-09-04)
Exponential advancements in computer technology over the last five decades have ubiquitously benefited science and humanity as a whole. Consequent beneficiaries of this surge of computational power include all subfields ......
Virtual compound screening and SAR analysis: method development and practical applications in the design of new serine and cysteine protease inhibitors
(2010-11-05)
Virtual screening is an important tool in drug discovery that uses different computational methods to screen chemical databases for the identification of possible drug candidates. Most virtual screening methodologies are ...
Evolution of the Activity Cliff Concept and Practical Implications for Compound Design
(2021-07-22)
Entering the “big data” era, a number of different research areas have witnessed an enormous increase in data at an exponential rate. For drug discovery, various publicly available protein structure and compound bioactivity ...