The molecular details involved in the folding, dynamics, organization, and interaction of
proteins with other molecules are often difficult to assess by experimental techniques …

The mpox (previously monkeypox) outbreak in more than 100 non-endemic countries in
2022 posed a serious global health concern. Mpox is emerging as a global public health …

A new systematic approach to build coarse-grained (CG) molecular models for
surfactants/water systems is proposed. A step-by-step approach using several molecular …

The abnormal expression of the c-Met tyrosine kinase has been linked to the proliferation of
several human cancer cell lines, including non-small-cell lung cancer (NSCLC). In this …

Carbonic anhydrase IX has been used as a hypoxia endogenous marker in a range of solid
tumors including renal cell, lung, bladder and tumors of the head and neck. α-CA IX isozyme …

Pharmacophore modelling studies have been performed for a series of 2, 4-disubstituted-
pyrimidines derivatives as EGFR L858R/T790M tyrosine kinase inhibitors. The high scoring …

A new coarse-grained (CG) intermolecular force field is presented for a series of zwitterionic
lipids. The model is an extension of our previous work on nonionic surfactants and is …

Walleye dermal sarcoma virus (WDSV) is a type of retrovirus, which affects most of the adult
walleye fishes during the spawning time. The virus causes multiple epithelial tumors on the …

A coarse-grained (CG) molecular model for nonionic surfactants is presented. The
transferability and versatility are demonstrated by applying the model to the bulk aqueous …

Wild thyme (Thymus serpyllum L.) of family Laminaceae is an unexplored perennial
medicinal shrub. Aerial part of this plant is traditionally used for the treatment of respiratory …