protein-ligand binding
Modeling regionalized volumetric differences in protein-ligand binding cavities
13
Protein Dynamics and Entropy: Implications for Protein-Ligand Binding
186
A web server for analysis, comparison and prediction of protein ligand binding sites
14
Water in Protein Cavities: Free Energy, Entropy, Enthalpy, and its Influences on Protein Structure and Flexibility
124
A Review on Clustering Techniques and Optimization Algorithms for Molecular Docking and DNA Nanotechnology
8
“Identification of Novel Inhibitors for Systemic Lupus Erythematosus by Targeting IFN-α and FCGR2A: A Structure Based pharmacophore Approach” by Inigo Benze Thobias, Shama Mujawar, Tanvee Pardeshi, Sameer Chaudhary, Menka Batra, Swetha Pavani Rao, Krishna Balaji Deshmukh, Sameer Raje, India.
7
Functional characterization of cytochrome P450 variant (CYP71) isolated from Artemisia annua L. Plants
25
“A Systematic Review on Molecular Docking Algorithms and its Challenges” by K. Ramanathan, India.
9
“In-Silico Discovery of Novel Inhibitors against PrP Protein (E196K, V203I and E211Q): Creutzfeldt Jakob Disease” by Swetha Pavani Rao, Shama Mujawar, Sameer Chaudhary, Inigo Benze Thobias, India.
5
Structural Stability of ADTC5 Peptide: Conformational Insights into Dynamics and Its Binding Mode
8
“Synthesis, PASS Prediction and Docking Studies ofAnti-inflammatory Activity of Novel Series of 2, 6-Bis (P-Chlorobenzoyl) 3, 6-Diphenyl-4-Methylthiamorpholine 1, 1-Dioxide” by Bhavani.P, Sasikala R.P, Meena K.S, India.
6
GPCRs through the keyhole: the role of protein flexibility in ligand binding to β adrenoceptors
44
Fibrinogen is a ligand for the S aureus MSCRAMM Bbp (Bone sialoprotein binding protein)
19
6 TheBehaviorofProteins incomplete S10
5
Binding responses associated with self-interacting ligands : studies on the self-association and receptor binding of insulin
195
Characterisation of the slr1212 genomic region of the freshwater cyanobacterium Synechocystis sp PCC 6803
234
Constant velocity pulling and unfolding of thyroid hormone receptor by steered molecular dynamics
9
MOLECULAR MODELING AND DOCKING BASED STUDIES OF NOVEL CHALCONE SKELETON BASED COMPOUNDS ON GLUCOSAMINE 6 PHOSPHATE SYNTHASE ENZYME
11
Conformational changes and the self assembly of alpha synuclein
238
A Random Forest model for predicting allosteric and functional sites on proteins
24