International Journal of Computational Biology and Drug Design

Analysing molecular polar surface descriptors to predict blood-brain barrier permeation

Sergey Shityakov, Winfried Neuhaus, Thomas Dandekar et al. · 2013 · 102 citations

Structural assessment of the effects of Amino Acid Substitutions on protein stability and protein protein interaction

Shaolei Teng, Anand Srivastava, Charles E. Schwartz et al. · 2010 · 86 citations

A new iterative method to reduce workload in systematic review process

Siddhartha Jonnalagadda, Diana B. Petitti · 2013 · 62 citations

Engineering, Systematic Literature Study, Intelligent Information Retrieval +25

Discovering a potent small molecule inhibitor for gankyrin using de novo drug design approach

Prasoon Kumar Thakur, Md. Imtaiyaz Hassan · 2011 · 53 citations

Drug Target, Chemoprevention Strategy, Medicinal Chemistry +18

Generic strategies for chemical space exploration

Jakob L. Andersen, Christoph Flamm, Daniel Merkle et al. · 2014 · 45 citations

Engineering, Chemical Analysis, Computational Chemistry +19