Abstract: The plasticity of active sites plays a significant role in drug recognition and binding, but the accurate incorporation of ‘receptor flexibility’ remains a significant…
Abstract: We review our performance in the SAMPL5 challenge for predicting host–guest binding affinities using the movable type (MT) method. The challenge included three hosts,…
QuantumBio staff will attend the CCG UGM conference and be available for discussion. Presentation title (tentitive): Integrated X-ray crystal water site determination using MOE, 3D-RISM,…
Abstract: Gaining an understanding of the protein:ligand complex structure along with the proper protonation and explicit solvent effects can be important in obtaining meaningful results…
QuantumBio staff will attend the ACS-San Deigo conference and be available for discussion. The following talks will be presented by QuantumBio staff: Talk: COMP 120…
