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Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen

Journal of computer-aided molecular design, 2019-06, Vol.33 (6), p.531-558

2019

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Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search

Journal of computer-aided molecular design, 2007-05, Vol.21 (5), p.281-306

Jain, Ajay N

2007

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Surflex-Dock: Docking benchmarks and real-world application

Journal of computer-aided molecular design, 2012-06, Vol.26 (6), p.687-699

2012

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Characterizing the adverse dermatologic effects of hydroxychloroquine: A systematic review

Journal of the American Academy of Dermatology, 2020-08, Vol.83 (2), p.563-578

2020

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Clinical Outcomes of Primary Cutaneous Melanomas Treated With Mohs Micrographic Surgery Versus Wide Local Excision: A Multicenter Cohort Analysis

Dermatologic surgery, 2024-05, Vol.50 (5), p.486-487

2024

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Structure- and Ligand-Based Virtual Screening on DUD‑E+: Performance Dependence on Approximations to the Binding Pocket

Journal of chemical information and modeling, 2020-09, Vol.60 (9), p.4296-4310

2020

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Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine

Journal of medicinal chemistry, 2003-02, Vol.46 (4), p.499-511

Jain, Ajay N

2003

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Recommendations for evaluation of computational methods

Journal of computer-aided molecular design, 2008-03, Vol.22 (3-4), p.133-139

2008

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Geometrically Diverse Lariat Peptide Scaffolds Reveal an Untapped Chemical Space of High Membrane Permeability

Journal of the American Chemical Society, 2021-01, Vol.143 (2), p.705-714

2021

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Recommendations for evaluation of computational methods

Journal of computer-aided molecular design, 2008-03, Vol.22 (3-4), p.133-139

2008

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Bias, reporting, and sharing: computational evaluations of docking methods

Journal of computer-aided molecular design, 2008-03, Vol.22 (3-4), p.201-212

Jain, Ajay N.

2008

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A SUMO-ubiquitin relay recruits proteasomes to chromosome axes to regulate meiotic recombination

Science (American Association for the Advancement of Science), 2017-01, Vol.355 (6323), p.403-407

2017

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Mohs surgery for the treatment of lentigo maligna and lentigo maligna melanoma - a systematic review

The Journal of dermatological treatment, 2021-02, Vol.32 (2), p.157-163

2021

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Alopecia areata is associated with risk of inflammatory arthritis

Journal of the American Academy of Dermatology, 2023-08, Vol.89 (2), p.422-423

2023

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Design of Logic Gates and Flip-Flops in High-Performance FinFET Technology

IEEE transactions on very large scale integration (VLSI) systems, 2013-11, Vol.21 (11), p.1975-1988

2013

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IEEE_Xplore

Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation

Journal of computer-aided molecular design, 2009-06, Vol.23 (6), p.355-374

Jain, Ajay N.

2009

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Equivalent Overall Survival for Microcystic Adnexal Carcinoma After Mohs Micrographic Surgery and Wide Local Excision: A Population-Based Analysis

Dermatologic surgery, 2024-06

2024

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Female Breast Melanomas are Associated With Lower Stage Diagnosis and Decreased Mohs Utilization: A National Cohort Study

Dermatologic surgery, 2024-06

2024

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ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs

Journal of computer-aided molecular design, 2017-05, Vol.31 (5), p.419-439

2017

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Utilizing Vein Viewing Technology to Distinguish Venous Congestion From Arterial Compromise After Filler Injection

Dermatologic surgery, 2024-04

2024

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Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction

Journal of chemical information and modeling, 2021-12, Vol.61 (12), p.5948-5966

2021

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Newcastle disease burden in Nepal and efficacy of Tablet I2 vaccine in commercial and backyard poultry production

PloS one, 2023-03, Vol.18 (3), p.e0280688-e0280688

2023

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Novel strains of Campylobacter cause diarrheal outbreak in Rhesus macaques (Macaca mulatta) of Kathmandu Valley

PloS one, 2023-03, Vol.18 (3), p.e0270778-e0270778

2023

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Assessing the financial literacy of dermatology residents: A nationwide survey

Journal of the American Academy of Dermatology, 2020-08, Vol.83 (2), p.638-640

2020

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Electrostatic-field and surface-shape similarity for virtual screening and pose prediction

Journal of computer-aided molecular design, 2019-10, Vol.33 (10), p.865-886

2019

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Complex macrocycle exploration: parallel, heuristic, and constraint-based conformer generation using ForceGen

Surflex-Dock 2.1: robust performance from ligand energetic modeling, ring flexibility, and knowledge-based search

Surflex-Dock: Docking benchmarks and real-world application

Characterizing the adverse dermatologic effects of hydroxychloroquine: A systematic review

Clinical Outcomes of Primary Cutaneous Melanomas Treated With Mohs Micrographic Surgery Versus Wide Local Excision: A Multicenter Cohort Analysis

Structure- and Ligand-Based Virtual Screening on DUD‑E+: Performance Dependence on Approximations to the Binding Pocket

Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine

Recommendations for evaluation of computational methods

Geometrically Diverse Lariat Peptide Scaffolds Reveal an Untapped Chemical Space of High Membrane Permeability

Recommendations for evaluation of computational methods

Bias, reporting, and sharing: computational evaluations of docking methods

A SUMO-ubiquitin relay recruits proteasomes to chromosome axes to regulate meiotic recombination

Mohs surgery for the treatment of lentigo maligna and lentigo maligna melanoma - a systematic review

Alopecia areata is associated with risk of inflammatory arthritis

Design of Logic Gates and Flip-Flops in High-Performance FinFET Technology

Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation

Equivalent Overall Survival for Microcystic Adnexal Carcinoma After Mohs Micrographic Surgery and Wide Local Excision: A Population-Based Analysis

Female Breast Melanomas are Associated With Lower Stage Diagnosis and Decreased Mohs Utilization: A National Cohort Study

ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs

Utilizing Vein Viewing Technology to Distinguish Venous Congestion From Arterial Compromise After Filler Injection

Synergy and Complementarity between Focused Machine Learning and Physics-Based Simulation in Affinity Prediction

Newcastle disease burden in Nepal and efficacy of Tablet I2 vaccine in commercial and backyard poultry production

Novel strains of Campylobacter cause diarrheal outbreak in Rhesus macaques (Macaca mulatta) of Kathmandu Valley

Assessing the financial literacy of dermatology residents: A nationwide survey

Electrostatic-field and surface-shape similarity for virtual screening and pose prediction

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