Results 151 to 160 of about 3,066,996 (254)

Design of Novel Inhibitors for Infectious Diseases using Structure-based Drug Design: Virtual Screening, Homology Modeling and Molecular Dynamics

, 2012
Divya Ramamoorthy
openalex   +2 more sources

Preparation of Lipophilic Derivatives of <i>para</i>-Aminosalicylic Acid for Antimicrobial Drug Design. [PDF]

ACS Omega
Hearn MJ, Min AK.
europepmc   +1 more source

AI-Guided Fragment-Based Drug Design for Virtual Library Screening and Hit Optimization

S. Ansar Ahmed, Madhuri Vishwanath Swami, S. Sattar, Asmita R. Suryawanshi, Pratiksha P. Alabade, Navabsab Shadulsab Pinjari   +5 more
openalex   +2 more sources

Computational Drug Design of Novel Compounds from Thymus Vulgaris Extract as Promising Candidates for Lyme disease Therapy: Targeting the OpsC Protein through Structure-Based Approaches

Muhammad Naveed, Imran Ali, Ayesha Saleem, Zeerwah Rajpoot, Mahnoor Fatima, Ayaz Ali Khan, Ammena Y. Binsaleh, Rania Ali El Hadi Mohamed, Nawal Al‐Hoshani, Manal F. El‐Khadragy   +9 more
openalex   +1 more source

Generative Deep Learning for de Novo Drug Design─A Chemical Space Odyssey. [PDF]

J Chem Inf Model
Özçelik R, Brinkmann H, Criscuolo E, Grisoni F.   +3 more
europepmc   +1 more source

Vanillin Derivatives in Drug Design: Structure-Activity Relationship (SAR) Hotspots and Synthetic Pathways for Enhanced Pharmacological Activity. [PDF]

ACS Omega
Suleiman M, Sankaranarayanan M, Theva Das K, Amran SI, Berezin V, Andrey B, Jamalis J.   +6 more
europepmc   +1 more source

PCF-VAE: posterior collapse free variational autoencoder for de novo drug design. [PDF]

Sci Rep
Bhadwal AS, Kumari M, Kumar A.
europepmc   +1 more source

Incorporating targeted protein structure in deep learning methods for molecule generation in computational drug design. [PDF]

Chem Sci
Vost L, Ziv Y, Deane CM.
europepmc   +1 more source

Qsarna: An Online Tool for Smart Chemical Space Navigation in Drug Design. [PDF]

J Chem Inf Model
Cieślak M, Łęski J, Krzysztyńska-Kuleta O, Kalinowska-Tłuścik J, Danel T.   +4 more
europepmc   +1 more source