Manzoni, Francesco <br/><br/>
Assessing the stability of free-energy perturbation calculations by performing variations in the method.  [electronic resource] 

 -  Journal of computer-aided molecular design  04 2018 
 - 529-536 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, Non-U.S. Gov't 
<br/><br/><label>ISSN: </label>1573-4951 
<br/><br/><label>Standard No.: </label>10.1007/s10822-018-0110-5  doi 
<br/><br/><label>Subjects--Topical Terms: </label><br/>Amino Acid Sequence<br/>Amino Acids<br/>Cluster Analysis<br/>Galectin 3--antagonists & inhibitors<br/>Molecular Dynamics Simulation<br/>Molecular Structure<br/>Protein Binding<br/>Structure-Activity Relationship<br/>Thermodynamics<br/>Thiogalactosides--chemistry<br/>Triazoles--chemistry